Glycoside
GD080153
Name:
NoneFormula:
C11H20O11N2S2Smiles:
Cc1noc(C)c1S(=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.Cc1noc(C)c1S(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.42 | Num_heavy_atoms: | 26 |
| 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 |
AD28791
Formula: C5H8O3N2S
Smiles:
Cc1noc(C)c1S(N)(=O)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.2 | Num_heavy_atoms: | 11 |
| TPSA: | 86.19 | NumAromaticRings: | 1 |
