Glycoside
GD016332
Name:
4-(2H-1,3-benzodioxol-5-yl)-6-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H-naphtho[2,3-c]furan-1-oneFormula:
C25H22O11Smiles:
O=C1OCc2c1cc1ccc(O)c(OC3OC(CO)C(O)C(O)C3O)c1c2-c1ccc2c(c1)OCO2Aglycone:
O=C1OCc2c1cc1ccc(O)c(O)c1c2-c1ccc2c(c1)OCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 498.44 | Num_heavy_atoms: | 36 |
| TPSA: | 164.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD11777
Formula: C19H12O6
Smiles:
O=C1OCc2c1cc1ccc(O)c(O)c1c2-c1ccc2c(c1)OCO2| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 336.3 | Num_heavy_atoms: | 25 |
| TPSA: | 85.22 | NumAromaticRings: | 3 |
