GD133816

Name:

3-hydroxy-6-[(9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl)oxy]-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:

C47H74O16

Smiles:

CC1OC(OC2C(O)C(C(=O)O)OC(OC3CCC4(C)C(CCC5(C)C4C=CC4=C6CC(C)(C)CC(O)C6(C)CCC45C)C3(C)C)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CC2=C3C=CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C(O)C1

Sugarmoiety:

CC1OC(OC2C(O)C(C(=O)O)OC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0087369

AD54144

Formula: C30H48O2

Smiles:

CC1(C)CC2=C3C=CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C(O)C1

HBA:	2	RingCount:	5
HBD:	2	FractionCSP3:	0.87
AlogP:	7.06	Num_rotatable_bonds:	0
MolWt:	440.71	Num_heavy_atoms:	32
TPSA:	40.46	NumAromaticRings:	0