Glycoside
GD131786
Name:
4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-(hydroxymethyl)-2-[(3,4,5-trihydroxyoxolan-2-yl)methoxy]oxolan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C25H34O16Smiles:
COc1cc(C=CC(=O)OC2C(OCC3OC(O)C(O)C3O)OC(CO)C2OC2OC(CO)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1OSugarmoiety:
OCC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C3O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -3.68 | Num_rotatable_bonds: | 11 |
| MolWt: | 590.53 | Num_heavy_atoms: | 41 |
| TPSA: | 243.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
