Glycoside
GD032113
Name:
NoneFormula:
C21H23O6NSSmiles:
Cc1ccc([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Cc1ncc(-c2ccco2)s1Aglycone:
Cc1ccccc1Cc1ncc(-c2ccco2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 417.48 | Num_heavy_atoms: | 29 |
| TPSA: | 116.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD20622
Formula: C15H13ONS
Smiles:
Cc1ccccc1Cc1ncc(-c2ccco2)s1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 255.34 | Num_heavy_atoms: | 18 |
| TPSA: | 26.03 | NumAromaticRings: | 3 |
