Glycoside

GD121003
Name:
methyl 4-(2-ethoxy-2-oxoethyl)-3-ethylidene-2-(4-hydroxyphenyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C25H32O12Smiles:
CC=C1C(CC(=O)OCC)C(C(=O)OC)=COC1(OC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1Aglycone:
CC=C1C(CC(=O)OCC)C(C(=O)OC)=COC1(O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.52 |
AlogP: | -0.04 | Num_rotatable_bonds: | 8 |
MolWt: | 524.52 | Num_heavy_atoms: | 37 |
TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD48666
Formula: C19H22O7
Smiles:
CC=C1C(CC(=O)OCC)C(C(=O)OC)=COC1(O)c1ccc(O)cc1HBA: | 7 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.37 |
AlogP: | 2.14 | Num_rotatable_bonds: | 5 |
MolWt: | 362.38 | Num_heavy_atoms: | 26 |
TPSA: | 102.29 | NumAromaticRings: | 1 |