GD148423

Name:

6-{[5-carboxy-6-(methoxymethyl)-1,2,8,21,21,26-hexamethylheptacyclo[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:

C42H62O10

Smiles:

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

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0088173

AD59394

Formula: C36H54O4

Smiles:

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

HBA:	4	RingCount:	7
HBD:	2	FractionCSP3:	0.86
AlogP:	7.66	Num_rotatable_bonds:	3
MolWt:	550.82	Num_heavy_atoms:	40
TPSA:	66.76	NumAromaticRings:	0