GD138871

Name:

3-ethylidene-4-{2-[2-(8-ethylidene-17-methyl-3,11-dioxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6,12-trioxatricyclo[12.2.1.0⁴,⁹]heptadec-4-en-15-yl)propoxy]-2-oxoethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid

Formula:

C42H58O22

Smiles:

CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCC(C)C1CC2OC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C(=CC)C3CC(=O)OCC1C2C

Aglycone:

CC=C1C(O)OC=C(C(=O)O)C1CC(=O)OCC(C)C1CC2OC(=O)C3=COC(O)C(=CC)C3CC(=O)OCC1C2C

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0313671

AD56030

Formula: C30H38O12

Smiles:

CC=C1C(O)OC=C(C(=O)O)C1CC(=O)OCC(C)C1CC2OC(=O)C3=COC(O)C(=CC)C3CC(=O)OCC1C2C

HBA:	12	RingCount:	4
HBD:	3	FractionCSP3:	0.6
AlogP:	2.36	Num_rotatable_bonds:	6
MolWt:	590.62	Num_heavy_atoms:	42
TPSA:	175.12	NumAromaticRings:	0