GD131236

Name:

6-{[5-carboxy-6-(methoxymethyl)-1,8,21,21,26-pentamethyl-2-(3-oxopropyl)heptacyclo[16.6.2.1⁸,¹².0²,¹³.0⁵,¹².0¹⁵,²⁵.0²²,²⁶]heptacosa-10,13-dien-20-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:

C44H64O11

Smiles:

COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C6CCC(C)(C4C56C)C2(CCC=O)CCC13C(=O)O

Aglycone:

COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(O)C(C)(C)C6CCC(C)(C4C56C)C2(CCC=O)CCC13C(=O)O

Sugarmoiety:

O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0088208

AD53176

Formula: C38H56O5

Smiles:

COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(O)C(C)(C)C6CCC(C)(C4C56C)C2(CCC=O)CCC13C(=O)O

HBA:	5	RingCount:	7
HBD:	2	FractionCSP3:	0.84
AlogP:	7.62	Num_rotatable_bonds:	6
MolWt:	592.86	Num_heavy_atoms:	43
TPSA:	83.83	NumAromaticRings:	0