Glycoside
GD135457
Name:
4-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)but-3-en-2-oneFormula:
C16H20O8Smiles:
CC(=O)C=Cc1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
CC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 340.33 | Num_heavy_atoms: | 24 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD23541
Formula: C10H10O3
Smiles:
CC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
