GD023881

Name:

Cumingianoside B

Formula:

C38H64O11

Smiles:

CC(=O)O[C@@H]1CC[C@]2(C)C(C[C@H](OC3OC(CO)C(O)C(O)C3O)[C@]3(C)C2CC[C@@]24C[C@@]23CC[C@H]4C(C)C[C@H](O)[C@H](O)C(C)(C)O)C1(C)C

Aglycone:

CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C(C)CC(O)C(O)C(C)(C)O)C1(C)C

Sugarmoiety:

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

Other Identifiers

• CHEMBL2373851
• CNP0164300

AD02508

Formula: C32H54O6

Smiles:

CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C(C)CC(O)C(O)C(C)(C)O)C1(C)C

HBA:	6	RingCount:	5
HBD:	4	FractionCSP3:	0.97
AlogP:	4.85	Num_rotatable_bonds:	6
MolWt:	534.78	Num_heavy_atoms:	38
TPSA:	107.22	NumAromaticRings:	0