Glycoside
GD057386
Name:
NoneFormula:
C10H22O8NS2Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H]([NH2+][C@@H]2CCSC2)[C@H]1OAglycone:
COS(O)(O)O.[NH3+]C1CCSC1Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 348.42 | Num_heavy_atoms: | 21 |
| TPSA: | 156.45 | 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 |
AD28774
Formula: C4H10NS
Smiles:
[NH3+]C1CCSC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 104.2 | Num_heavy_atoms: | 6 |
| TPSA: | 27.64 | NumAromaticRings: | 0 |
