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Vatalbinoside A
FEATURES
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NAMES
  • VATALBINOSIDE A
SMILES
OC[C@H]1O[C@@H](Oc2cc3c4c(c2)[C@@H]([C@@H]2c5cc(O)cc6c5[C@@H](c5cc(O)cc(O)c5[C@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O6)[C@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@H]4[C@H](c2ccc(O)cc2)O3)[C@H](O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C62H52O17/c63-25-46-57(73)58(74)59(75)62(79-46)76-37-23-41-52-45(24-37)78-61(29-7-15-33(67)16-8-29)56(52)39-18-35(69)21-43(72)50(39)48(27-3-11-31(65)12-4-27)54(41)53-40-19-36(70)22-44-51(40)55(60(77-44)28-5-13-32(66)14-6-28)38-17-34(68)20-42(71)49(38)47(53)26-1-9-30(64)10-2-26/h1-24,46-48,53-75H,25H2/t46-,47-,48-,53-,54-,55-,56-,57-,58+,59-,60+,61+,62-/m1/s1
MOLECULAR FORMULA
C62H52O17
CROSS REFERENCES
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Vatalbinoside A

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 1068.32
AlogP 7.91
HBond donors 13
HBond acceptors 17
Atoms 131
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 Vatalbinoside A.