Glycoside
GD024036
Name:
NoneFormula:
C16H28O7N9PSmiles:
N=C(N)NCCC[C@H](N)COP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OCC(N)CCCNC(=N)N.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.62 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 11 |
| MolWt: | 489.43 | Num_heavy_atoms: | 33 |
| TPSA: | 262.99 | 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 |
AD16092
Formula: C7H19O4N4P
Smiles:
COP(=O)(O)OCC(N)CCCNC(=N)N| HBA: | 8 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 254.23 | Num_heavy_atoms: | 16 |
| TPSA: | 143.68 | NumAromaticRings: | 0 |
