Glycoside
GD064696
Name:
NoneFormula:
C12H18O8N2SSmiles:
COc1ncccc1S(=O)(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
COc1ncccc1S(N)(=O)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 350.35 | Num_heavy_atoms: | 23 |
| TPSA: | 158.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD31139
Formula: C6H8O3N2S
Smiles:
COc1ncccc1S(N)(=O)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 188.21 | Num_heavy_atoms: | 12 |
| TPSA: | 82.28 | NumAromaticRings: | 1 |
