Glycoside
GD072464
Name:
NoneFormula:
C13H21O8N3SSmiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2ncnc3c2CCC3)[C@H]1OAglycone:
COS(O)(O)O.Nc1ncnc2c1CCC2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 379.39 | Num_heavy_atoms: | 25 |
| TPSA: | 177.65 | 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 |
AD33803
Formula: C7H9N3
Smiles:
Nc1ncnc2c1CCC2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
