Glycoside
GD083206
Name:
NoneFormula:
C19H30O4N7Smiles:
CC(C)(CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C[NH+]1CCCC1Aglycone:
CC(C)(CNC=O)C[NH+]1CCCC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.49 | Num_heavy_atoms: | 30 |
| TPSA: | 152.85 | 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 |
AD37158
Formula: C10H21ON2
Smiles:
CC(C)(CNC=O)C[NH+]1CCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 185.29 | Num_heavy_atoms: | 13 |
| TPSA: | 33.54 | NumAromaticRings: | 0 |
