Glycoside
GD037548
Name:
NoneFormula:
C25H36O17Smiles:
O=C(OC[C@@H]1O[C@@](CO)(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
COC(=O)c1ccccc1Sugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(OC3(CO)OC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.72 |
| AlogP: | -5.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 608.55 | Num_heavy_atoms: | 42 |
| TPSA: | 274.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
