Natural Product: NPC2063

Natural Product ID:  NPC2063
Common Name:   Astebatherioside D
IUPAC Name:   1-[3-[(2S,3R,4S,5S,6R)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyfuran-2-yl]ethanone
Synonyms:   Astebatherioside D
Molecular Formula:   C30H46O19
Standard InCHIKey:  QZYHNIIVOYQMFV-BFZYVIMGSA-N
Standard InCHI:  InChI=1S/C30H46O19/c1-8(31)23-13(6-7-41-23)46-30-26(49-28-20(38)18(36)15(33)10(3)43-28)21(39)24(12(5)45-30)47-29-22(40)25(16(34)11(4)44-29)48-27-19(37)17(35)14(32)9(2)42-27/h6-7,9-12,14-22,24-30,32-40H,1-5H3/t9-,10-,11-,12-,14+,15-,16+,17+,18+,19-,20-,21+,22-,24-,25+,26-,27+,28+,29+,30+/m1/s1
Canonical SMILES:  C[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H]([C@@H]([C@H]2O)O[C@@H]2O[C@H](C)[C@H]([C@@H]([C@H]2O)O)O)Oc2ccoc2C(=O)C)[C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O)O)O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO33245 asterina batheri Species NA Eukaryota PMID[23395633]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 22800 nM 3585904

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC2063 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.7711 Intermediate Similarity NPC244875
0.7679 Intermediate Similarity NPC203145
0.7679 Intermediate Similarity NPC32641
0.7679 Intermediate Similarity NPC476470
0.7679 Intermediate Similarity NPC256188
0.7679 Intermediate Similarity NPC12013
0.7679 Intermediate Similarity NPC11432
0.7679 Intermediate Similarity NPC189564
0.7679 Intermediate Similarity NPC221342
0.7679 Intermediate Similarity NPC142142
0.7679 Intermediate Similarity NPC477613
0.7679 Intermediate Similarity NPC186816
0.764 Intermediate Similarity NPC213723
0.7619 Intermediate Similarity NPC76831
0.7619 Intermediate Similarity NPC292929
0.7619 Intermediate Similarity NPC287889
0.7619 Intermediate Similarity NPC135358
0.7619 Intermediate Similarity NPC289667
0.7616 Intermediate Similarity NPC469601
0.7605 Intermediate Similarity NPC240306
0.7605 Intermediate Similarity NPC150164
0.7593 Intermediate Similarity NPC23253
0.759 Intermediate Similarity NPC153342
0.7586 Intermediate Similarity NPC192539
0.7574 Intermediate Similarity NPC64425
0.7572 Intermediate Similarity NPC48984
0.7564 Intermediate Similarity NPC79908
0.756 Intermediate Similarity NPC311850
0.7545 Intermediate Similarity NPC170052
0.7545 Intermediate Similarity NPC116458
0.7545 Intermediate Similarity NPC215710
0.7545 Intermediate Similarity NPC265885
0.7545 Intermediate Similarity NPC253788
0.7545 Intermediate Similarity NPC135846
0.7545 Intermediate Similarity NPC246943
0.7545 Intermediate Similarity NPC139320
0.7545 Intermediate Similarity NPC473438
0.7545 Intermediate Similarity NPC297987
0.7545 Intermediate Similarity NPC181465
0.7545 Intermediate Similarity NPC163242
0.7545 Intermediate Similarity NPC249281
0.7545 Intermediate Similarity NPC173582
0.7545 Intermediate Similarity NPC64305
0.7545 Intermediate Similarity NPC276377
0.7545 Intermediate Similarity NPC476215
0.7544 Intermediate Similarity NPC277532
0.7544 Intermediate Similarity NPC138990
0.7544 Intermediate Similarity NPC209550
0.7544 Intermediate Similarity NPC175429
0.753 Intermediate Similarity NPC320283
0.753 Intermediate Similarity NPC472459
0.753 Intermediate Similarity NPC41121
0.753 Intermediate Similarity NPC111929
0.7529 Intermediate Similarity NPC251417
0.7529 Intermediate Similarity NPC89052
0.7529 Intermediate Similarity NPC469600
0.7515 Intermediate Similarity NPC295613
0.7515 Intermediate Similarity NPC72016
0.7515 Intermediate Similarity NPC473657
0.7514 Intermediate Similarity NPC16194
0.7514 Intermediate Similarity NPC294815
0.7514 Intermediate Similarity NPC473327
0.7514 Intermediate Similarity NPC19108
0.7514 Intermediate Similarity NPC476472
0.7514 Intermediate Similarity NPC220173
0.75 Intermediate Similarity NPC470716
0.75 Intermediate Similarity NPC470715
0.75 Intermediate Similarity NPC474522
0.75 Intermediate Similarity NPC470714
0.75 Intermediate Similarity NPC475382
0.75 Intermediate Similarity NPC473072
0.7485 Intermediate Similarity NPC271270
0.7485 Intermediate Similarity NPC136761
0.7485 Intermediate Similarity NPC187379
0.7485 Intermediate Similarity NPC200708
0.7485 Intermediate Similarity NPC97285
0.7485 Intermediate Similarity NPC61791
0.7485 Intermediate Similarity NPC304741
0.7485 Intermediate Similarity NPC246469
0.7485 Intermediate Similarity NPC471079
0.7485 Intermediate Similarity NPC470405
0.7485 Intermediate Similarity NPC142860
0.7471 Intermediate Similarity NPC298666
0.7471 Intermediate Similarity NPC292019
0.7471 Intermediate Similarity NPC202908
0.7471 Intermediate Similarity NPC231787
0.7471 Intermediate Similarity NPC262222
0.7471 Intermediate Similarity NPC219043
0.7471 Intermediate Similarity NPC122467
0.7471 Intermediate Similarity NPC325176
0.7471 Intermediate Similarity NPC14187
0.7471 Intermediate Similarity NPC68592
0.747 Intermediate Similarity NPC78263
0.747 Intermediate Similarity NPC54802
0.747 Intermediate Similarity NPC197304
0.747 Intermediate Similarity NPC77672
0.747 Intermediate Similarity NPC108831
0.747 Intermediate Similarity NPC288084
0.747 Intermediate Similarity NPC182634
0.747 Intermediate Similarity NPC133671
0.747 Intermediate Similarity NPC135391
0.7469 Intermediate Similarity NPC227980
0.7466 Intermediate Similarity NPC272487
0.7456 Intermediate Similarity NPC473644
0.7456 Intermediate Similarity NPC121703
0.7453 Intermediate Similarity NPC218685
0.7443 Intermediate Similarity NPC473071
0.7443 Intermediate Similarity NPC473073
0.7442 Intermediate Similarity NPC206123
0.7442 Intermediate Similarity NPC194483
0.7442 Intermediate Similarity NPC470712
0.7442 Intermediate Similarity NPC164704
0.7442 Intermediate Similarity NPC72249
0.744 Intermediate Similarity NPC129217
0.744 Intermediate Similarity NPC159579
0.744 Intermediate Similarity NPC216496
0.744 Intermediate Similarity NPC259957
0.744 Intermediate Similarity NPC85707
0.744 Intermediate Similarity NPC48093
0.744 Intermediate Similarity NPC224530
0.7429 Intermediate Similarity NPC475261
0.7429 Intermediate Similarity NPC173837
0.7427 Intermediate Similarity NPC149244
0.7427 Intermediate Similarity NPC48640
0.7425 Intermediate Similarity NPC138811
0.7425 Intermediate Similarity NPC473634
0.7425 Intermediate Similarity NPC22062
0.7423 Intermediate Similarity NPC131874
0.7421 Intermediate Similarity NPC471028
0.7416 Intermediate Similarity NPC33083
0.7416 Intermediate Similarity NPC470719
0.7416 Intermediate Similarity NPC473554
0.7416 Intermediate Similarity NPC295625
0.7414 Intermediate Similarity NPC198199
0.7412 Intermediate Similarity NPC475497
0.7412 Intermediate Similarity NPC284277
0.7412 Intermediate Similarity NPC475366
0.7412 Intermediate Similarity NPC15358
0.7412 Intermediate Similarity NPC472130
0.7412 Intermediate Similarity NPC472131
0.741 Intermediate Similarity NPC206378
0.741 Intermediate Similarity NPC307938
0.741 Intermediate Similarity NPC203500
0.741 Intermediate Similarity NPC170475
0.741 Intermediate Similarity NPC265480
0.741 Intermediate Similarity NPC45165
0.741 Intermediate Similarity NPC323593
0.741 Intermediate Similarity NPC149368
0.7407 Intermediate Similarity NPC22137
0.7399 Intermediate Similarity NPC176740
0.7399 Intermediate Similarity NPC261254
0.7399 Intermediate Similarity NPC134532
0.7399 Intermediate Similarity NPC26230
0.7399 Intermediate Similarity NPC471725
0.7399 Intermediate Similarity NPC155877
0.7399 Intermediate Similarity NPC33054
0.7399 Intermediate Similarity NPC60735
0.7399 Intermediate Similarity NPC203259
0.7399 Intermediate Similarity NPC471748
0.7399 Intermediate Similarity NPC245452
0.7396 Intermediate Similarity NPC146991
0.7396 Intermediate Similarity NPC259834
0.7396 Intermediate Similarity NPC190450
0.7396 Intermediate Similarity NPC27942
0.7396 Intermediate Similarity NPC298171
0.7386 Intermediate Similarity NPC470444
0.7386 Intermediate Similarity NPC470443
0.7386 Intermediate Similarity NPC241423
0.7386 Intermediate Similarity NPC473571
0.7386 Intermediate Similarity NPC110941
0.7386 Intermediate Similarity NPC473895
0.7386 Intermediate Similarity NPC473682
0.7386 Intermediate Similarity NPC126784
0.7384 Intermediate Similarity NPC293629
0.7384 Intermediate Similarity NPC52382
0.7384 Intermediate Similarity NPC219904
0.7384 Intermediate Similarity NPC223747
0.7384 Intermediate Similarity NPC203050
0.7384 Intermediate Similarity NPC120099
0.7384 Intermediate Similarity NPC5319
0.7384 Intermediate Similarity NPC270578
0.7384 Intermediate Similarity NPC225434
0.7381 Intermediate Similarity NPC473623
0.7371 Intermediate Similarity NPC471669
0.7371 Intermediate Similarity NPC89127
0.7368 Intermediate Similarity NPC60756
0.7365 Intermediate Similarity NPC44931
0.7365 Intermediate Similarity NPC6985
0.7365 Intermediate Similarity NPC262872
0.7365 Intermediate Similarity NPC65003
0.7365 Intermediate Similarity NPC473512
0.7365 Intermediate Similarity NPC129827
0.7365 Intermediate Similarity NPC122809
0.7361 Intermediate Similarity NPC107482
0.736 Intermediate Similarity NPC470720
0.736 Intermediate Similarity NPC460984
0.736 Intermediate Similarity NPC223860
0.736 Intermediate Similarity NPC275977
0.736 Intermediate Similarity NPC21359
0.736 Intermediate Similarity NPC470713

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC2063 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.7514 Intermediate Similarity NPD7808 Phase 3
0.7457 Intermediate Similarity NPD7251 Discontinued
0.7399 Intermediate Similarity NPD6797 Phase 2
0.7384 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD1049 Clinical (unspecified phase)
0.7361 Intermediate Similarity NPD9092 Discovery
0.7341 Intermediate Similarity NPD7472 Approved
0.7341 Intermediate Similarity NPD7074 Phase 3
0.7283 Intermediate Similarity NPD7054 Approved
0.7262 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD6559 Discontinued
0.7126 Intermediate Similarity NPD3818 Discontinued
0.7119 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD5403 Approved
0.7012 Intermediate Similarity NPD5401 Approved
0.6982 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6959 Remote Similarity NPD7075 Discontinued
0.6923 Remote Similarity NPD6801 Discontinued
0.6914 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6914 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6914 Remote Similarity NPD6166 Phase 2
0.6848 Remote Similarity NPD6799 Approved
0.6842 Remote Similarity NPD3817 Phase 2
0.6842 Remote Similarity NPD5402 Approved
0.6802 Remote Similarity NPD3882 Suspended
0.6743 Remote Similarity NPD1247 Approved
0.6724 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6706 Remote Similarity NPD4380 Phase 2
0.6703 Remote Similarity NPD8313 Approved
0.6703 Remote Similarity NPD8312 Approved
0.6685 Remote Similarity NPD8434 Phase 2
0.6667 Remote Similarity NPD7411 Suspended
0.6631 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6629 Remote Similarity NPD919 Approved
0.6628 Remote Similarity NPD1934 Approved
0.6608 Remote Similarity NPD6599 Discontinued
0.6591 Remote Similarity NPD5494 Approved
0.6584 Remote Similarity NPD1933 Approved
0.6552 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6503 Remote Similarity NPD7685 Pre-registration
0.6494 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6494 Remote Similarity NPD8455 Phase 2
0.6464 Remote Similarity NPD3751 Discontinued
0.6452 Remote Similarity NPD1091 Approved
0.6448 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6446 Remote Similarity NPD1549 Phase 2
0.6433 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6433 Remote Similarity NPD920 Approved
0.6425 Remote Similarity NPD3787 Discontinued
0.6412 Remote Similarity NPD4378 Clinical (unspecified phase)
0.64 Remote Similarity NPD2801 Approved
0.64 Remote Similarity NPD7819 Suspended
0.6395 Remote Similarity NPD1653 Approved
0.6386 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6386 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6369 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6328 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6325 Remote Similarity NPD2796 Approved
0.6325 Remote Similarity NPD1551 Phase 2
0.6298 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6298 Remote Similarity NPD3926 Phase 2
0.6294 Remote Similarity NPD7435 Discontinued
0.6287 Remote Similarity NPD7266 Discontinued
0.6284 Remote Similarity NPD2163 Approved
0.6284 Remote Similarity NPD7228 Approved
0.6279 Remote Similarity NPD1512 Approved
0.6277 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6273 Remote Similarity NPD6832 Phase 2
0.6272 Remote Similarity NPD4628 Phase 3
0.6264 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6264 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6237 Remote Similarity NPD6765 Approved
0.6237 Remote Similarity NPD7240 Approved
0.6237 Remote Similarity NPD6764 Approved
0.6224 Remote Similarity NPD6780 Approved
0.6224 Remote Similarity NPD6778 Approved
0.6224 Remote Similarity NPD6781 Approved
0.6224 Remote Similarity NPD6782 Approved
0.6224 Remote Similarity NPD6776 Approved
0.6224 Remote Similarity NPD6779 Approved
0.6224 Remote Similarity NPD6777 Approved
0.6221 Remote Similarity NPD642 Clinical (unspecified phase)
0.6221 Remote Similarity NPD7410 Clinical (unspecified phase)
0.622 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6213 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6212 Remote Similarity NPD7697 Approved
0.6212 Remote Similarity NPD7698 Approved
0.6212 Remote Similarity NPD7696 Phase 3
0.6201 Remote Similarity NPD3749 Approved
0.62 Remote Similarity NPD7584 Approved
0.6199 Remote Similarity NPD643 Clinical (unspecified phase)
0.6188 Remote Similarity NPD7199 Phase 2
0.6188 Remote Similarity NPD6959 Discontinued
0.6182 Remote Similarity NPD447 Suspended
0.6169 Remote Similarity NPD7701 Phase 2
0.6163 Remote Similarity NPD1511 Approved
0.6163 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6162 Remote Similarity NPD5844 Phase 1
0.6159 Remote Similarity NPD6233 Phase 2
0.6158 Remote Similarity NPD7783 Phase 2
0.6158 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6154 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6149 Remote Similarity NPD5647 Approved
0.6124 Remote Similarity NPD5760 Phase 2
0.6124 Remote Similarity NPD5761 Phase 2
0.6121 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6108 Remote Similarity NPD7874 Approved
0.6108 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6105 Remote Similarity NPD6784 Approved
0.6105 Remote Similarity NPD6785 Approved
0.6101 Remote Similarity NPD9717 Approved
0.61 Remote Similarity NPD8320 Phase 1
0.61 Remote Similarity NPD7871 Phase 2
0.61 Remote Similarity NPD8319 Approved
0.61 Remote Similarity NPD7870 Phase 2
0.6096 Remote Similarity NPD291 Approved
0.6094 Remote Similarity NPD8397 Clinical (unspecified phase)
0.608 Remote Similarity NPD3226 Approved
0.6071 Remote Similarity NPD1510 Phase 2
0.6071 Remote Similarity NPD7033 Discontinued
0.6067 Remote Similarity NPD37 Approved
0.6059 Remote Similarity NPD8151 Discontinued
0.6056 Remote Similarity NPD4966 Approved
0.6056 Remote Similarity NPD4965 Approved
0.6056 Remote Similarity NPD4967 Phase 2
0.6056 Remote Similarity NPD7768 Phase 2
0.6041 Remote Similarity NPD7699 Phase 2
0.6041 Remote Similarity NPD7700 Phase 2
0.6038 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6034 Remote Similarity NPD1465 Phase 2
0.6026 Remote Similarity NPD556 Approved
0.6024 Remote Similarity NPD1240 Approved
0.6023 Remote Similarity NPD1243 Approved
0.6 Remote Similarity NPD6798 Discontinued
0.6 Remote Similarity NPD6823 Phase 2
0.6 Remote Similarity NPD2403 Approved
0.6 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6 Remote Similarity NPD1471 Phase 3
0.6 Remote Similarity NPD7801 Approved
0.6 Remote Similarity NPD6859 Clinical (unspecified phase)
0.5989 Remote Similarity NPD6234 Discontinued
0.5988 Remote Similarity NPD6355 Discontinued
0.5988 Remote Similarity NPD1203 Approved
0.5978 Remote Similarity NPD6844 Discontinued
0.5969 Remote Similarity NPD6535 Approved
0.5969 Remote Similarity NPD6534 Approved
0.5968 Remote Similarity NPD7473 Discontinued
0.5954 Remote Similarity NPD6190 Approved
0.5952 Remote Similarity NPD1607 Approved
0.5951 Remote Similarity NPD1019 Discontinued
0.5951 Remote Similarity NPD2798 Approved
0.5941 Remote Similarity NPD3454 Phase 3
0.5936 Remote Similarity NPD7799 Discontinued
0.5933 Remote Similarity NPD8404 Phase 2
0.593 Remote Similarity NPD1652 Phase 2
0.593 Remote Similarity NPD2800 Approved
0.5926 Remote Similarity NPD3225 Approved
0.5917 Remote Similarity NPD7097 Phase 1
0.5915 Remote Similarity NPD9494 Approved
0.5914 Remote Similarity NPD4575 Clinical (unspecified phase)
0.5907 Remote Similarity NPD8150 Discontinued
0.5906 Remote Similarity NPD2344 Approved
0.5904 Remote Similarity NPD2313 Discontinued
0.5904 Remote Similarity NPD3268 Approved
0.5899 Remote Similarity NPD7458 Discontinued
0.5896 Remote Similarity NPD3750 Approved
0.5893 Remote Similarity NPD1899 Clinical (unspecified phase)
0.5892 Remote Similarity NPD6232 Discontinued
0.5882 Remote Similarity NPD7583 Approved
0.5879 Remote Similarity NPD5019 Clinical (unspecified phase)
0.5872 Remote Similarity NPD2424 Discontinued
0.5868 Remote Similarity NPD4062 Phase 3
0.5862 Remote Similarity NPD2354 Approved
0.5862 Remote Similarity NPD3887 Approved
0.5854 Remote Similarity NPD7585 Approved
0.5852 Remote Similarity NPD4662 Approved
0.5852 Remote Similarity NPD7004 Clinical (unspecified phase)
0.5852 Remote Similarity NPD4661 Approved
0.5851 Remote Similarity NPD7893 Clinical (unspecified phase)
0.5838 Remote Similarity NPD6674 Discontinued
0.5838 Remote Similarity NPD8127 Discontinued
0.5833 Remote Similarity NPD5889 Approved
0.5833 Remote Similarity NPD5890 Approved
0.5829 Remote Similarity NPD5058 Phase 3
0.5824 Remote Similarity NPD5353 Approved
0.5822 Remote Similarity NPD8155 Clinical (unspecified phase)
0.5822 Remote Similarity NPD7907 Approved
0.582 Remote Similarity NPD7286 Phase 2
0.5814 Remote Similarity NPD2346 Discontinued
0.5799 Remote Similarity NPD230 Phase 1
0.5793 Remote Similarity NPD6362 Approved
0.5789 Remote Similarity NPD3748 Approved
0.5789 Remote Similarity NPD2799 Discontinued
0.578 Remote Similarity NPD970 Clinical (unspecified phase)
0.5771 Remote Similarity NPD2309 Approved
0.5765 Remote Similarity NPD6651 Approved
0.5765 Remote Similarity NPD6653 Approved
0.5764 Remote Similarity NPD2972 Approved
0.5764 Remote Similarity NPD3533 Approved
0.5764 Remote Similarity NPD3057 Approved

Structure

External Identifiers

PubChem CID   71568322
ChEMBL   CHEMBL2333839
ZINC  

Physicochemical Properties

Molecular Weight:  710.26
ALogP:  -5.8559
MLogP:  2.67
XLogP:  -3.391
# Rotatable Bonds:  23
Polar Surface Area:  286.12
# H-Bond Aceptor:  17
# H-Bond Donor:  9
# Rings:  5
# Heavy Atoms:  49

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