GD139216

Name:

16-({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-ene-10,19-dione

Formula:

C49H76O23

Smiles:

CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(=O)C5CC(OC6OC(COC7OCC(O)C(O)C7O)C(OC7OCC(O)C(O)C7O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C12

Aglycone:

CC1=C(CCC(C)CO)OC2CC3C4CC(=O)C5CC(O)CCC5(C)C4CC(=O)C3(C)C12

Sugarmoiety:

OC1COC(OCC2OC(O)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0311591

AD56135

Formula: C27H40O5

Smiles:

CC1=C(CCC(C)CO)OC2CC3C4CC(=O)C5CC(O)CCC5(C)C4CC(=O)C3(C)C12

HBA:	5	RingCount:	5
HBD:	2	FractionCSP3:	0.85
AlogP:	4.06	Num_rotatable_bonds:	4
MolWt:	444.61	Num_heavy_atoms:	32
TPSA:	83.83	NumAromaticRings:	0