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Diosbulbiside C
FEATURES
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NAMES
  • Diosbulbiside C
SMILES
C/C(C(=O)CC[C@@H](C)CO)=C1/C(=O)C[C@H]2[C@@H]3CCC4=C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C45H70O17/c1-19(17-46)7-10-28(48)20(2)31-29(49)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)59-43-40(62-42-38(56)36(54)33(51)22(4)58-42)39(34(52)30(18-47)60-43)61-41-37(55)35(53)32(50)21(3)57-41/h15,19,21-22,24-27,30,32-43,46-47,50-56H,7-14,16-18H2,1-6H3/b31-20+/t19-,21+,22+,24+,25-,26+,27+,30-,32+,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,43-,44+,45+/m1/s1
MOLECULAR FORMULA
C45H70O17
CROSS REFERENCES
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Diosbulbiside C

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 882.46
AlogP 0.31
HBond donors 9
HBond acceptors 17
Atoms 132
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Diosbulbiside C.