Glycoside
GD117904
Name:
9-(2H-1,3-benzodioxol-4-yl)-4-[(3-hydroxy-4,5-dimethoxyoxan-2-yl)oxy]-6,7-dimethoxy-1H,3H-naphtho[2,3-c]furan-1-oneFormula:
C28H28O11Smiles:
COc1cc2c(OC3OCC(OC)C(OC)C3O)c3c(c(-c4cccc5c4OCO5)c2cc1OC)C(=O)OC3Aglycone:
COc1cc2c(O)c3c(c(-c4cccc5c4OCO5)c2cc1OC)C(=O)OC3Sugarmoiety:
COC1COC(O)C(O)C1OCOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 540.52 | Num_heavy_atoms: | 39 |
| TPSA: | 120.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD47077
Formula: C21H16O7
Smiles:
COc1cc2c(O)c3c(c(-c4cccc5c4OCO5)c2cc1OC)C(=O)OC3| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 380.35 | Num_heavy_atoms: | 28 |
| TPSA: | 83.45 | NumAromaticRings: | 3 |
