Glycoside
GD022079
Name:
NoneFormula:
C22H24O5N8SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2ccc(OCC(=O)Nc3nccs3)cc2)[C@H](O)[C@H]1OAglycone:
CNCc1ccc(OCC(=O)Nc2nccs2)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 512.55 | Num_heavy_atoms: | 36 |
| TPSA: | 182.56 | NumAromaticRings: | 4 |
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 |
AD15012
Formula: C13H15O2N3S
Smiles:
CNCc1ccc(OCC(=O)Nc2nccs2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 277.35 | Num_heavy_atoms: | 19 |
| TPSA: | 63.25 | NumAromaticRings: | 2 |
