GD146261

Name:

6-{[8a-({[4,5-bis(acetyloxy)-3-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl]oxy}carbonyl)-4-carboxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-docosahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:

C58H90O27

Smiles:

CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2CCC4C5(C)CC(O)C(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC4(C)C2(C)CC3)C(OC2OC(C)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OC(C)=O

Aglycone:

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

Sugarmoiety:

CC(=O)OC1C(C)OC(O)C(OC2OC(C)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OC(C)=O.O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0251103

AD58660

Formula: C30H48O6

Smiles:

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

HBA:	6	RingCount:	5
HBD:	4	FractionCSP3:	0.93
AlogP:	5.35	Num_rotatable_bonds:	2
MolWt:	504.71	Num_heavy_atoms:	36
TPSA:	115.06	NumAromaticRings:	0