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Abacopterin I
FEATURES
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NAMES
  • Abacopterin I
SMILES
COc1ccc([C@@H]2C[C@H]3O[C@H]4[C@H](Oc5c(C)c(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c(C)c(c53)O2)O[C@H](CO)[C@@H](O)[C@@H]4O)cc1
InChI
InChI=1S/C30H38O14/c1-11-25(43-29-24(37)22(35)20(33)17(9-31)41-29)12(2)27-19-16(40-28-23(36)21(34)18(10-32)42-30(28)44-27)8-15(39-26(11)19)13-4-6-14(38-3)7-5-13/h4-7,15-18,20-24,28-37H,8-10H2,1-3H3/t15-,16+,17+,18+,20+,21+,22-,23-,24+,28+,29-,30-/m0/s1
MOLECULAR FORMULA
C30H38O14
CROSS REFERENCES
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Abacopterin I

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 622.23
AlogP -0.73
HBond donors 7
HBond acceptors 14
Atoms 82
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Abacopterin I.