GD021122

Name:

GENTIRIGEOSIDE C

Formula:

C42H70O17

Smiles:

CC1(C)O[C@](C(=O)O)([C@@H]2CC[C@]3(C)[C@H]2CC[C@@H]2[C@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@](C)(CO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4CC[C@]23C)C[C@H](O)[C@H]1O

Aglycone:

CC1(C)OC(C(=O)O)(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(CO)C4CCC23C)CC(O)C1O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL373539
• CNP0137157

AD13369

Formula: C30H50O7

Smiles:

CC1(C)OC(C(=O)O)(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(CO)C4CCC23C)CC(O)C1O

HBA:	7	RingCount:	5
HBD:	5	FractionCSP3:	0.97
AlogP:	3.75	Num_rotatable_bonds:	3
MolWt:	522.72	Num_heavy_atoms:	37
TPSA:	127.45	NumAromaticRings:	0