Glycoside
GD004703
Name:
methyl 1,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylateFormula:
C18H20O10Smiles:
COC(=O)c1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2c(O)cccc2c1OAglycone:
COC(=O)c1cc(O)c2c(O)cccc2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.35 | Num_heavy_atoms: | 28 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD04070
Formula: C12H10O5
Smiles:
COC(=O)c1cc(O)c2c(O)cccc2c1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 234.21 | Num_heavy_atoms: | 17 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
