Glycoside
GD009951
Name:
NoneFormula:
C13H18O5N6Smiles:
CCNC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC(=O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 338.32 | Num_heavy_atoms: | 24 |
| TPSA: | 157.64 | 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 |
AD07744
Formula: C4H9O2N
Smiles:
CCNC(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
