Glycoside
GD020471
Name:
2-[(6-hydroxy-2H-1,3-benzodioxol-5-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C19H26O13Smiles:
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](Oc3cc4c(cc3O)OCO4)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1cc2c(cc1O)OCO2Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -2.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.4 | Num_heavy_atoms: | 32 |
| TPSA: | 196.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD14131
Formula: C7H6O4
Smiles:
Oc1cc2c(cc1O)OCO2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 58.92 | NumAromaticRings: | 1 |
