GD119739

Name:

6-{[18-carboxy-19-(methoxymethyl)-6,10,10,14,21-pentamethyl-15-(3-oxopropyl)hexacyclo[19.3.1.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]pentacosa-2,23-dien-9-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:

C42H62O11

Smiles:

COCC1CC2(C)CC=CC3(C2)C2=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(CCC=O)CCC13C(=O)O

Aglycone:

COCC1CC2(C)CC=CC3(C2)C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(CCC=O)CCC13C(=O)O

Sugarmoiety:

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

Other Identifiers

• CNP0101941

AD48028

Formula: C36H54O5

Smiles:

COCC1CC2(C)CC=CC3(C2)C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(CCC=O)CCC13C(=O)O

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.83
AlogP:	7.38	Num_rotatable_bonds:	6
MolWt:	566.82	Num_heavy_atoms:	41
TPSA:	83.83	NumAromaticRings:	0