GD121462

Name:

6-{[5-carboxy-6-(methoxymethyl)-1,8,25,25-tetramethyl-2-(3-oxopropyl)octacyclo[13.13.1.1⁸,¹².0²,¹³.0⁵,¹².0¹⁷,²².0²¹,²⁶.0²¹,²⁹]triaconta-10,13-dien-24-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:

C46H66O11

Smiles:

COCC1CC2(C)CC=CC3(C2)C2=CC4CC5CCCC67C5CC(OC5OC(C(=O)O)C(O)C(O)C5O)C(C)(C)C6CCC(C)(C47)C2(CCC=O)CCC13C(=O)O

Aglycone:

COCC1CC2(C)CC=CC3(C2)C2=CC4CC5CCCC67C5CC(O)C(C)(C)C6CCC(C)(C47)C2(CCC=O)CCC13C(=O)O

Sugarmoiety:

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

Other Identifiers

• CNP0395732

AD48897

Formula: C40H58O5

Smiles:

COCC1CC2(C)CC=CC3(C2)C2=CC4CC5CCCC67C5CC(O)C(C)(C)C6CCC(C)(C47)C2(CCC=O)CCC13C(=O)O

HBA:	5	RingCount:	8
HBD:	2	FractionCSP3:	0.85
AlogP:	8.01	Num_rotatable_bonds:	6
MolWt:	618.9	Num_heavy_atoms:	45
TPSA:	83.83	NumAromaticRings:	0