Glycoside
GD096023
Name:
NoneFormula:
C22H40O5N8Smiles:
CCCCCC[NH2+]CCN(CC[C@H]([NH3+])C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCCCCC[NH2+]CCN(C)CCC([NH3+])C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.73 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 15 |
| MolWt: | 496.61 | Num_heavy_atoms: | 35 |
| TPSA: | 204.1 | 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 |
AD40845
Formula: C13H31O2N3
Smiles:
CCCCCC[NH2+]CCN(C)CCC([NH3+])C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 12 |
| MolWt: | 261.41 | Num_heavy_atoms: | 18 |
| TPSA: | 84.79 | NumAromaticRings: | 0 |
