Glycoside
GD079306
Name:
NoneFormula:
C9H16O10N2S3Smiles:
O=S(=O)(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1nccs1Aglycone:
COS(O)(O)O.NS(=O)(=O)c1nccs1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 408.43 | Num_heavy_atoms: | 24 |
| TPSA: | 198.9 | 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 |
AD27262
Formula: C3H4O2N2S2
Smiles:
NS(=O)(=O)c1nccs1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.21 | Num_heavy_atoms: | 9 |
| TPSA: | 73.05 | NumAromaticRings: | 1 |
