GD016414

Name:

ASIATICOSIDE G

Formula:

C48H78O20

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](OC[C@@H]3O[C@H](OC(=O)[C@@]45CC[C@H](CO)[C@H](C)[C@H]4C4=CC[C@@H]6[C@]7(C)C[C@H](O)[C@H](O)[C@](C)(CO)[C@H]7CC[C@@]6(C)[C@@]4(C)CC5)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1C(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C12

Sugarmoiety:

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1684589
• CNP0140368

AD11822

Formula: C30H48O6

Smiles:

CC1C(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C12

HBA:	6	RingCount:	5
HBD:	5	FractionCSP3:	0.9
AlogP:	4.01	Num_rotatable_bonds:	3
MolWt:	504.71	Num_heavy_atoms:	36
TPSA:	118.22	NumAromaticRings:	0