GD118288

Name:

6-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-hydroxy-3-{[3,4,5-trihydroxy-3-(hydroxymethyl)oxolan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:

C52H82O24

Smiles:

CC1(C)CCC2(C(=O)OC3(O)OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(O)C(O)C7(O)CO)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OC1OC(O)C(O)C1(O)CO.OCC1OC(O)(O)C(O)C(O)C1O

Other Identifiers

• CNP0205942

AD00086

Formula: C30H48O3

Smiles:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	7.23	Num_rotatable_bonds:	1
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	57.53	NumAromaticRings:	0