Glycoside
GD035063
Name:
ASTEBATHERIOSIDE DFormula:
C30H46O19Smiles:
CC(=O)c1occc1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(=O)c1occc1OSugarmoiety:
CC1OC(OC2C(O)OC(C)C(OC3OC(C)C(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.83 |
| AlogP: | -3.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 710.68 | Num_heavy_atoms: | 49 |
| TPSA: | 286.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD22207
Formula: C6H6O3
Smiles:
CC(=O)c1occc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
