GD128093

Name:

6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 11-hydroxy-8-(2-methoxy-2-oxoethyl)-1,2,6,6,9-pentamethyl-15-(prop-1-en-2-yl)-7-oxapentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icosane-18-carboxylate

Formula:

C49H78O20

Smiles:

C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CC(O)C4C5(C)C(CC(=O)OC)OC(C)(C)C5CCC43C)C12

Aglycone:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC(O)C4C5(C)C(CC(=O)OC)OC(C)(C)C5CCC43C)C12

Sugarmoiety:

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0389153

AD11469

Formula: C31H48O6

Smiles:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC(O)C4C5(C)C(CC(=O)OC)OC(C)(C)C5CCC43C)C12

HBA:	6	RingCount:	5
HBD:	2	FractionCSP3:	0.87
AlogP:	5.62	Num_rotatable_bonds:	4
MolWt:	516.72	Num_heavy_atoms:	37
TPSA:	93.06	NumAromaticRings:	0