Glycoside
GD131451
Name:
5,7-dimethoxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C23H26O10Smiles:
COc1cc(OC)c2c(c1)OC(c1ccc(OC3OC(CO)C(O)C(O)C3O)cc1)CC2=OAglycone:
COc1cc(OC)c2c(c1)OC(c1ccc(O)cc1)CC2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.45 | Num_heavy_atoms: | 33 |
| TPSA: | 144.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD47852
Formula: C17H16O5
Smiles:
COc1cc(OC)c2c(c1)OC(c1ccc(O)cc1)CC2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.31 | Num_heavy_atoms: | 22 |
| TPSA: | 64.99 | NumAromaticRings: | 2 |
