GD016788

Name:

HETERGENOSIDE B

Formula:

C46H76O17

Smiles:

CC1(C)CC[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:

CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

OCC1OC(OC2C(O)OCC(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL574573
• CNP0324102

AD02829

Formula: C30H50O4

Smiles:

CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

HBA:	4	RingCount:	5
HBD:	4	FractionCSP3:	0.93
AlogP:	5.08	Num_rotatable_bonds:	2
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	80.92	NumAromaticRings:	0