GD145880

Name:

6-{[5-carboxy-21-cyclopentyl-6-(methoxymethyl)-1,8,21,26-tetramethyl-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:

C48H70O11

Smiles:

COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C6CCCC6)C6CCC(C)(C4C56C)C2(CCC=O)CCC13C(=O)O

Aglycone:

COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(O)C(C)(C6CCCC6)C6CCC(C)(C4C56C)C2(CCC=O)CCC13C(=O)O

Sugarmoiety:

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

Other Identifiers

• CNP0091531

AD58528

Formula: C42H62O5

Smiles:

COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(O)C(C)(C6CCCC6)C6CCC(C)(C4C56C)C2(CCC=O)CCC13C(=O)O

HBA:	5	RingCount:	8
HBD:	2	FractionCSP3:	0.86
AlogP:	8.79	Num_rotatable_bonds:	7
MolWt:	646.95	Num_heavy_atoms:	47
TPSA:	83.83	NumAromaticRings:	0