Glycoside
GD018659
Name:
2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]decan-5-yl 4-hydroxybenzoateFormula:
C22H28O12Smiles:
O=C(O[C@H]1[C@H]2CCO[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2[C@]2(CO)O[C@@H]12)c1ccc(O)cc1Aglycone:
O=C(OC1C2CCOC(O)C2C2(CO)OC12)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 484.45 | Num_heavy_atoms: | 34 |
| TPSA: | 187.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD13126
Formula: C16H18O7
Smiles:
O=C(OC1C2CCOC(O)C2C2(CO)OC12)c1ccc(O)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 322.31 | Num_heavy_atoms: | 23 |
| TPSA: | 108.75 | NumAromaticRings: | 1 |
