Glycoside
GD095676
Name:
2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-5-yl 4-methoxybenzoateFormula:
C23H28O12Smiles:
COc1ccc(C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@@H]23)cc1Aglycone:
COc1ccc(C(=O)OC2C3C=COC(O)C3C3(CO)OC23)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.47 | Num_heavy_atoms: | 35 |
| TPSA: | 176.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD23287
Formula: C17H18O7
Smiles:
COc1ccc(C(=O)OC2C3C=COC(O)C3C3(CO)OC23)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.32 | Num_heavy_atoms: | 24 |
| TPSA: | 97.75 | NumAromaticRings: | 1 |
