Glycoside
GD036739
Name:
NoneFormula:
C13H19O5N7Smiles:
CCNC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)nc(N)nc32)[C@H](O)[C@H]1OAglycone:
CCNC(=O)OC.Nc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 353.34 | Num_heavy_atoms: | 25 |
| TPSA: | 183.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD01628
Formula: C5H5N6
Smiles:
Nc1nc(N)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.14 | Num_heavy_atoms: | 11 |
| TPSA: | 104.28 | 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 |
