GD022504

Name:

CUMINGIANOSIDE E

Formula:

C40H64O11

Smiles:

CC(=O)OC[C@@H]1O[C@H](O[C@@H]2C[C@@H]3C(C)(C)[C@H](OC(C)=O)CC[C@@]3(C)[C@@H]3CC[C@@]45C[C@@]4(CC[C@H]5[C@H](C)C[C@H](O)[C@@H]4OC4(C)C)[C@@]32C)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C(C)CC(O)C2OC2(C)C)C1(C)C.COC(C)=O

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL500285
• CNP0290212

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD03742

Formula: C32H52O5

Smiles:

CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C(C)CC(O)C2OC2(C)C)C1(C)C

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.97
AlogP:	5.89	Num_rotatable_bonds:	5
MolWt:	516.76	Num_heavy_atoms:	37
TPSA:	79.29	NumAromaticRings:	0