Glycoside
GD072027
Name:
NoneFormula:
C12H21O9N3SSmiles:
Cn1cnc(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1Aglycone:
COS(O)(O)O.Cn1cnc(CC(N)=O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 383.38 | Num_heavy_atoms: | 25 |
| TPSA: | 186.76 | 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 |
AD26237
Formula: C6H9ON3
Smiles:
Cn1cnc(CC(N)=O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 139.16 | Num_heavy_atoms: | 10 |
| TPSA: | 60.91 | NumAromaticRings: | 1 |
