Glycoside
GD000466
Name:
NoneFormula:
C16H23O3N6SSmiles:
C[S+](C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)C1C=CC(N)C1Aglycone:
C[S+](C)C1C=CC(N)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 379.47 | Num_heavy_atoms: | 26 |
| TPSA: | 145.33 | 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 |
AD00523
Formula: C7H14NS
Smiles:
C[S+](C)C1C=CC(N)C1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 144.26 | Num_heavy_atoms: | 9 |
| TPSA: | 26.02 | NumAromaticRings: | 0 |
