Glycoside
GD006749
Name:
NoneFormula:
C23H33O4N8Smiles:
C[N+](C)(CC[C@H](N)C(=O)NCc1ccccc1)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
C[N+](C)(C)CCC(N)C(=O)NCc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 485.57 | Num_heavy_atoms: | 35 |
| TPSA: | 174.43 | 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 |
AD05550
Formula: C14H24ON3
Smiles:
C[N+](C)(C)CCC(N)C(=O)NCc1ccccc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 250.37 | Num_heavy_atoms: | 18 |
| TPSA: | 55.12 | NumAromaticRings: | 1 |
