Glycoside
GD137827
Name:
9-(2H-1,3-benzodioxol-5-yl)-4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-7,8-dihydroxy-1H,3H-naphtho[2,3-c]furan-1-oneFormula:
C24H20O11Smiles:
O=C1OCc2c1c(-c1ccc3c(c1)OCO3)c1c(O)c(O)ccc1c2OC1OCC(O)(CO)C1OAglycone:
O=C1OCc2c1c(-c1ccc3c(c1)OCO3)c1c(O)c(O)ccc1c2OSugarmoiety:
OCC1(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 484.41 | Num_heavy_atoms: | 35 |
| TPSA: | 164.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD55662
Formula: C19H12O7
Smiles:
O=C1OCc2c1c(-c1ccc3c(c1)OCO3)c1c(O)c(O)ccc1c2O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 352.3 | Num_heavy_atoms: | 26 |
| TPSA: | 105.45 | NumAromaticRings: | 3 |
