Glycoside
GD152127
Name:
(5-{[4,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenoxy)-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl 4-hydroxy-3-methoxybenzoateFormula:
C27H34O16Smiles:
COc1cc(C(=O)OCC2(O)COC(OC3C(Oc4cc(OC)c(O)c(OC)c4)OC(CO)C(O)C3O)C2O)ccc1OAglycone:
COC(=O)c1ccc(O)c(OC)c1.COc1cc(O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 11 |
| MolWt: | 614.55 | Num_heavy_atoms: | 43 |
| TPSA: | 232.52 | 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 |
AD02608
Formula: C8H10O4
Smiles:
COc1cc(O)cc(OC)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.16 | Num_heavy_atoms: | 12 |
| TPSA: | 58.92 | NumAromaticRings: | 1 |
