Glycoside
GD002097
Name:
NoneFormula:
C21H34O4N6Smiles:
CCCCCCCCCCCNC(=O)[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCNC=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 12 |
| MolWt: | 434.54 | Num_heavy_atoms: | 31 |
| 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 |
AD02032
Formula: C12H25ON
Smiles:
CCCCCCCCCCCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 11 |
| MolWt: | 199.34 | Num_heavy_atoms: | 14 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
