Glycoside
GD031421
Name:
NoneFormula:
C26H38O4N8Smiles:
CC(CNC(=O)Nc1ccc(C(C)(C)C)cc1)CN(C)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(CNC(=O)Nc1ccc(C(C)(C)C)cc1)CN(C)C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 526.64 | Num_heavy_atoms: | 38 |
| TPSA: | 163.68 | 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 |
AD20245
Formula: C17H29ON3
Smiles:
CC(CNC(=O)Nc1ccc(C(C)(C)C)cc1)CN(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.59 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 291.44 | Num_heavy_atoms: | 21 |
| TPSA: | 44.37 | NumAromaticRings: | 1 |
