Glycoside
GD082345
Name:
NoneFormula:
C16H21O9NSSmiles:
COC(=O)/C=C/c1cccc(S(=O)(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1Aglycone:
COC(=O)C=Cc1cccc(S(N)(=O)=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 403.41 | Num_heavy_atoms: | 27 |
| TPSA: | 162.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD36994
Formula: C10H11O4NS
Smiles:
COC(=O)C=Cc1cccc(S(N)(=O)=O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 241.27 | Num_heavy_atoms: | 16 |
| TPSA: | 86.46 | NumAromaticRings: | 1 |
