Glycoside
GD062961
Name:
NoneFormula:
C8H20O10N2S2Smiles:
CN(C)S(=O)(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
CN(C)S(N)(=O)=O.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 368.39 | Num_heavy_atoms: | 22 |
| TPSA: | 189.25 | NumAromaticRings: | 0 |
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 |
AD24996
Formula: C2H8O2N2S
Smiles:
CN(C)S(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.17 | Num_heavy_atoms: | 7 |
| TPSA: | 63.4 | NumAromaticRings: | 0 |
