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Bulbineloneside E
FEATURES
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NAMES
  • Bulbineloneside E
SMILES
CC(=O)c1c(O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c1O
InChI
InChI=1S/C34H34O17/c1-10-6-14(38)23-24(25(41)12-4-3-5-13(37)21(12)28(23)44)19(10)22-15(39)7-17(20(11(2)36)27(22)43)49-33-31(47)32(16(40)9-48-33)51-34-30(46)29(45)26(42)18(8-35)50-34/h3-7,16,18,26,29-35,37-40,42-43,45-47H,8-9H2,1-2H3/t16-,18-,26-,29+,30-,31-,32+,33+,34+/m1/s1
MOLECULAR FORMULA
C34H34O17
CROSS REFERENCES
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Bulbineloneside E

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 714.18
AlogP -0.90
HBond donors 10
HBond acceptors 17
Atoms 85
Contains toxicophore No
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Bulbineloneside E.