GD027194

Name:

AESCULIOSIDE IC

Formula:

C47H76O20

Smiles:

CC1(C)C[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]3(C)C[C@H](O)[C@@]2(CO)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O

Sugarmoiety:

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C2O)C1O

Other Identifiers

• CHEMBL1095024
• CNP0288177

AD17897

Formula: C30H50O5

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O

HBA:	5	RingCount:	5
HBD:	5	FractionCSP3:	0.93
AlogP:	4.05	Num_rotatable_bonds:	1
MolWt:	490.73	Num_heavy_atoms:	35
TPSA:	101.15	NumAromaticRings:	0