Glycoside
GD021242
Name:
NoneFormula:
C14H18O6N6Smiles:
CC(C)=NOC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COC(=O)ON=C(C)C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 366.33 | Num_heavy_atoms: | 26 |
| TPSA: | 167.2 | 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 |
AD14553
Formula: C5H9O3N
Smiles:
COC(=O)ON=C(C)C| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 131.13 | Num_heavy_atoms: | 9 |
| TPSA: | 47.89 | NumAromaticRings: | 0 |
