GD153083

Name:

10-(acetyloxy)-9-({[4,5-bis(acetyloxy)-3-hydroxy-6-methyloxan-2-yl]oxy}methyl)-12-hydroxy-2,4a,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid

Formula:

C42H64O12

Smiles:

CC(=O)OC1C(C)OC(OCC2(C)C(OC(C)=O)CC(O)C3(C)C2CCC2(C)C3CC=C3C4CC(C)(C(=O)O)CCC4(C)CCC32C)C(O)C1OC(C)=O

Aglycone:

CC(=O)OC1CC(O)C2(C)C(CCC3(C)C2CC=C2C4CC(C)(C(=O)O)CCC4(C)CCC23C)C1(C)CO

Sugarmoiety:

CC(=O)OC1C(C)OC(O)C(O)C1OC(C)=O

Other Identifiers

• CNP0171349

AD49876

Formula: C32H50O6

Smiles:

CC(=O)OC1CC(O)C2(C)C(CCC3(C)C2CC=C2C4CC(C)(C(=O)O)CCC4(C)CCC23C)C1(C)CO

HBA:	6	RingCount:	5
HBD:	3	FractionCSP3:	0.88
AlogP:	5.75	Num_rotatable_bonds:	3
MolWt:	530.75	Num_heavy_atoms:	38
TPSA:	104.06	NumAromaticRings:	0