GD141726

Name:

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

Formula:

C42H68O16

Smiles:

CC1(C)CC(O)C2(CO)C(C1)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

Aglycone:

CC1(C)CC(O)C2(CO)C(C1)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

Sugarmoiety:

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

Other Identifiers

• CNP0316510

AD23126

Formula: C30H50O5

Smiles:

CC1(C)CC(O)C2(CO)C(C1)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

HBA:	5	RingCount:	5
HBD:	5	FractionCSP3:	0.93
AlogP:	4.05	Num_rotatable_bonds:	1
MolWt:	490.73	Num_heavy_atoms:	35
TPSA:	101.15	NumAromaticRings:	0