Glycoside
GD028797
Name:
NoneFormula:
C23H24O9SSmiles:
C=C[C@@H]1C2=CCOC(=O)C2=CO[C@H]1O[C@@H]1O[C@H](CO)[C@H](S)[C@H](O)[C@H]1OC(=O)c1ccccc1Aglycone:
C=CC1C2=CCOC(=O)C2=COC1O.O=C(O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1SOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.5 | Num_heavy_atoms: | 33 |
| TPSA: | 120.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00479
Formula: C10H10O4
Smiles:
C=CC1C2=CCOC(=O)C2=COC1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
