Glycoside
GD106961
Name:
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromene-2-carboxylateFormula:
C25H24O12Smiles:
COC(=O)c1oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2Aglycone:
COC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 516.46 | Num_heavy_atoms: | 37 |
| TPSA: | 174.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD44248
Formula: C19H14O7
Smiles:
COC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.16 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 354.31 | Num_heavy_atoms: | 26 |
| TPSA: | 95.2 | NumAromaticRings: | 3 |
