Glycoside
GD001167
Name:
methyl 5-hydroxy-5-(hydroxymethyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,8-dioxatricyclo[4.4.0.0²,â´]dec-9-ene-10-carboxylateFormula:
C17H24O12Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1[C@@H]1O[C@H]1[C@@]2(O)COAglycone:
COC(=O)C1=COC(O)C2C1C1OC1C2(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | -4.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.37 | Num_heavy_atoms: | 29 |
| TPSA: | 187.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD01216
Formula: C11H14O7
Smiles:
COC(=O)C1=COC(O)C2C1C1OC1C2(O)CO| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.23 | Num_heavy_atoms: | 18 |
| TPSA: | 108.75 | NumAromaticRings: | 0 |
