Glycoside
GD008421
Name:
NoneFormula:
C18H19O5N5SSmiles:
Cc1ccc(S(=O)(=O)C=C[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1Aglycone:
C=CS(=O)(=O)c1ccc(C)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 417.45 | Num_heavy_atoms: | 29 |
| TPSA: | 153.45 | 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 |
AD06725
Formula: C9H10O2S
Smiles:
C=CS(=O)(=O)c1ccc(C)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.24 | Num_heavy_atoms: | 12 |
| TPSA: | 34.14 | NumAromaticRings: | 1 |
