Glycoside
GD015877
Name:
4-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)but-3-en-2-oneFormula:
C18H24O9Smiles:
COc1cc(C=CC(C)=O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C=CC(C)=O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 384.38 | Num_heavy_atoms: | 27 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD11488
Formula: C12H14O4
Smiles:
COc1cc(C=CC(C)=O)cc(OC)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 222.24 | Num_heavy_atoms: | 16 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
