GD010235

Name:

CUMINGIANOSIDE D

Formula:

C40H64O11

Smiles:

C=C(C)[C@H](O)[C@H](O)C[C@H](C)[C@@H]1CC[C@@]23C[C@@]12CC[C@@H]1[C@]2(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]2C[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]2O)[C@]13C

Aglycone:

C=C(C)C(O)C(O)CC(C)C1CCC23CC12CCC1C2(C)CCC(OC(C)=O)C(C)(C)C2CC(O)C13C.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL510039
• CNP0272718

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

AD07942

Formula: C32H52O5

Smiles:

C=C(C)C(O)C(O)CC(C)C1CCC23CC12CCC1C2(C)CCC(OC(C)=O)C(C)(C)C2CC(O)C13C

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.91
AlogP:	5.65	Num_rotatable_bonds:	6
MolWt:	516.76	Num_heavy_atoms:	37
TPSA:	86.99	NumAromaticRings:	0