GD119979

Name:

7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy}butyl)-16-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-en-19-one

Formula:

C45H72O18

Smiles:

CC1=C(CCC(C)COCC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(=O)C5CC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C12

Aglycone:

COCC(C)CCC1=C(C)C2C(CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC32C)O1

Sugarmoiety:

OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0423116

AD48149

Formula: C28H44O4

Smiles:

COCC(C)CCC1=C(C)C2C(CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC32C)O1

HBA:	4	RingCount:	5
HBD:	1	FractionCSP3:	0.89
AlogP:	5.53	Num_rotatable_bonds:	5
MolWt:	444.66	Num_heavy_atoms:	32
TPSA:	55.76	NumAromaticRings:	0