GD147381

Name:

1,2,6a,6b,9,12a-hexamethyl-8,10,11-tris({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:

C54H88O26

Smiles:

CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(OC6OC(CO)C(O)C(O)C6O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(COC6OC(CO)C(O)C(O)C6O)C5C(OC5OC(CO)C(O)C(O)C5O)CC43C)C2C1C

Aglycone:

CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1C

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0229704

AD16295

Formula: C30H48O6

Smiles:

CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1C

HBA:	6	RingCount:	5
HBD:	5	FractionCSP3:	0.9
AlogP:	4.0	Num_rotatable_bonds:	2
MolWt:	504.71	Num_heavy_atoms:	36
TPSA:	118.22	NumAromaticRings:	0