Glycoside
GD025396
Name:
NoneFormula:
C27H38O18Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@]2(CO)O[C@H](COC(=O)c3ccccc3)[C@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
COC(=O)c1ccccc1.COC(C)=OSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(OC3(CO)OC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.7 |
| AlogP: | -5.14 | Num_rotatable_bonds: | 11 |
| MolWt: | 650.58 | Num_heavy_atoms: | 45 |
| TPSA: | 280.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
