Glycoside
GD078790
Name:
NoneFormula:
C18H28O4N6Smiles:
CCCCCCCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1OAglycone:
CCCCCCCCNC=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 392.46 | Num_heavy_atoms: | 28 |
| TPSA: | 148.41 | 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 |
AD10067
Formula: C9H19ON
Smiles:
CCCCCCCCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 157.26 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
