Glycoside
GD062385
Name:
NoneFormula:
C13H19O5N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSC[C@H]([NH3+])C(=O)O)[C@@H](O)[C@H]1OAglycone:
CSCC([NH3+])C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 371.4 | Num_heavy_atoms: | 25 |
| TPSA: | 184.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD30328
Formula: C4H10O2NS
Smiles:
CSCC([NH3+])C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 136.2 | Num_heavy_atoms: | 8 |
| TPSA: | 64.94 | NumAromaticRings: | 0 |
