Glycoside
GD074952
Name:
NoneFormula:
C15H21O8NSSmiles:
Cc1c(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cccc1S(C)(=O)=OAglycone:
Cc1c(C(N)=O)cccc1S(C)(=O)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 375.4 | Num_heavy_atoms: | 25 |
| TPSA: | 153.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD34675
Formula: C9H11O3NS
Smiles:
Cc1c(C(N)=O)cccc1S(C)(=O)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 213.26 | Num_heavy_atoms: | 14 |
| TPSA: | 77.23 | NumAromaticRings: | 1 |
