Glycoside
GD114193
Name:
5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acidFormula:
C25H28O15Smiles:
COc1cc(C(=O)OCC2(O)COC(OC3C(Oc4ccc(O)c(C(=O)O)c4)OCC(O)C3O)C2O)ccc1OAglycone:
COC(=O)c1ccc(O)c(OC)c1.O=C(O)c1cc(O)ccc1OSugarmoiety:
OC1COC(O)C(OC2OCC(O)(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 568.48 | Num_heavy_atoms: | 40 |
| TPSA: | 231.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD05966
Formula: C7H6O4
Smiles:
O=C(O)c1cc(O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
