GD015452

Name:

3Beta-[(O-Beta-D-Glucopyranosyl-(1-2)-Alpha-L-Arabinopyranosyl)Oxy]-20Alp+

Formula:

C41H68O13

Smiles:

C[C@@H]1[C@@H]2C3CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[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)CC[C@@]2(C(=O)O)CC[C@]1(C)O

Aglycone:

CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1(C)O

Sugarmoiety:

OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL553850
• CNP0252097

AD11227

Formula: C30H50O4

Smiles:

CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1(C)O

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.97
AlogP:	6.28	Num_rotatable_bonds:	1
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0