Glycoside
GD028332
Name:
NoneFormula:
C13H15O3N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSc2ncc[nH]2)[C@H](O)[C@H]1OAglycone:
CSc1ncc[nH]1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 349.38 | Num_heavy_atoms: | 24 |
| TPSA: | 147.99 | NumAromaticRings: | 3 |
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 |
AD07804
Formula: C4H6N2S
Smiles:
CSc1ncc[nH]1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.17 | Num_heavy_atoms: | 7 |
| TPSA: | 28.68 | NumAromaticRings: | 1 |
