GD139120

Name:

6-{[11-carboxy-14-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:

C42H64O17

Smiles:

CC1(C(=O)O)CC(=O)C2(C)CCC3(C)C(=CC(O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1

Aglycone:

CC1(C(=O)O)CC(=O)C2(C)CCC3(C)C(=CC(O)C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0125413

AD56105

Formula: C30H46O6

Smiles:

CC1(C(=O)O)CC(=O)C2(C)CCC3(C)C(=CC(O)C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

HBA:	6	RingCount:	5
HBD:	4	FractionCSP3:	0.87
AlogP:	4.36	Num_rotatable_bonds:	2
MolWt:	502.69	Num_heavy_atoms:	36
TPSA:	115.06	NumAromaticRings:	0