Glycoside
GD025617
Name:
NoneFormula:
C18H27O4N7Smiles:
CCC(=O)NCC=CCN(C)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCC(=O)NCC=CCN(C)C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 405.46 | Num_heavy_atoms: | 29 |
| TPSA: | 151.65 | 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 |
AD05722
Formula: C9H18ON2
Smiles:
CCC(=O)NCC=CCN(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 170.26 | Num_heavy_atoms: | 12 |
| TPSA: | 32.34 | NumAromaticRings: | 0 |
