Glycoside
GD009352
Name:
2-[2,4-dihydroxy-3-(4-hydroxybenzoyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H30O15Smiles:
O=C(c1ccc(O)cc1)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1OAglycone:
O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.48 |
| AlogP: | -3.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 570.5 | Num_heavy_atoms: | 40 |
| TPSA: | 267.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD02139
Formula: C13H10O5
Smiles:
O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.22 | Num_heavy_atoms: | 18 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
