Glycoside
GD001202
Name:
4-hydroxy-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,10-dioxatricyclo[5.3.1.0â´,â¸]undecan-6-yl 4-hydroxybenzoateFormula:
C22H28O12Smiles:
O=C(O[C@@H]1C[C@]2(O)CO[C@@H]3CC1C2[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)O3)c1ccc(O)cc1Aglycone:
O=C(OC1CC2(O)COC3CC1C2C(O)O3)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.45 | Num_heavy_atoms: | 34 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD01250
Formula: C16H18O7
Smiles:
O=C(OC1CC2(O)COC3CC1C2C(O)O3)c1ccc(O)cc1| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 322.31 | Num_heavy_atoms: | 23 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
