Glycoside
GD013102
Name:
5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C15H16O10Smiles:
O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)coc2cc(O)cc(O)c12Aglycone:
O=c1c(O)coc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 356.28 | Num_heavy_atoms: | 25 |
| TPSA: | 170.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD00187
Formula: C9H6O5
Smiles:
O=c1c(O)coc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 194.14 | Num_heavy_atoms: | 14 |
| TPSA: | 90.9 | NumAromaticRings: | 2 |
