Glycoside
GD127276
Name:
3-(4-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}phenyl)prop-2-enoic acidFormula:
C15H18O8Smiles:
O=C(O)C=Cc1ccc(OC2C(CO)OC(O)C(O)C2O)cc1Aglycone:
O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 326.3 | Num_heavy_atoms: | 23 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
