Glycoside
GD080511
Name:
NoneFormula:
C10H18O11N2S2Smiles:
Cc1oncc1S(=O)(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COS(O)(O)O.Cc1oncc1S(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.39 | Num_heavy_atoms: | 25 |
| TPSA: | 212.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD36444
Formula: C4H6O3N2S
Smiles:
Cc1oncc1S(N)(=O)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.17 | Num_heavy_atoms: | 10 |
| TPSA: | 86.19 | NumAromaticRings: | 1 |
