GD152693

Name:

6-{[5-carboxy-6-(methoxymethyl)-1,2,8,25,25-pentamethyloctacyclo[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:

C44H64O10

Smiles:

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

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0113600

AD60775

Formula: C38H56O4

Smiles:

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

HBA:	4	RingCount:	8
HBD:	2	FractionCSP3:	0.87
AlogP:	8.05	Num_rotatable_bonds:	3
MolWt:	576.86	Num_heavy_atoms:	42
TPSA:	66.76	NumAromaticRings:	0