Glycoside
GD140913
Name:
3-(3,4-dimethoxyphenyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-1H-2-benzopyran-1-oneFormula:
C23H26O10Smiles:
COc1ccc(C2Cc3cccc(OC4OC(CO)C(O)C(O)C4O)c3C(=O)O2)cc1OCAglycone:
COc1ccc(C2Cc3cccc(O)c3C(=O)O2)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.45 | Num_heavy_atoms: | 33 |
| TPSA: | 144.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD56806
Formula: C17H16O5
Smiles:
COc1ccc(C2Cc3cccc(O)c3C(=O)O2)cc1OC| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.31 | Num_heavy_atoms: | 22 |
| TPSA: | 64.99 | NumAromaticRings: | 2 |
