GD155728

Name:

2-[(8,9-dihydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-6-{[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]methyl}oxane-3,4,5-triol

Formula:

C47H78O17

Smiles:

CC1(C)CC(O)C2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OC(COC8OCC(O)C(O)C8O)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1

Aglycone:

CC1(C)CC(O)C2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

OC1COC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0254469

AD55405

Formula: C30H50O3

Smiles:

CC1(C)CC(O)C2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	3	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	6.11	Num_rotatable_bonds:	0
MolWt:	458.73	Num_heavy_atoms:	33
TPSA:	60.69	NumAromaticRings:	0