Glycoside
GD104444
Name:
3-(2H-1,3-benzodioxol-5-yl)-6-ethyl-2-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C25H26O10Smiles:
CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 486.47 | Num_heavy_atoms: | 35 |
| TPSA: | 148.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD43956
Formula: C19H16O5
Smiles:
CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1O| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 324.33 | Num_heavy_atoms: | 24 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
