Glycoside
GD127992
Name:
3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C21H28O13Smiles:
COc1cc(C=CC(=O)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -2.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 488.44 | Num_heavy_atoms: | 34 |
| TPSA: | 204.83 | 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 |
