Glycoside
GD027120
Name:
NoneFormula:
C15H24O3N8Smiles:
CN(CC=CCN)C[C@@H]1O[C@H](n2cnc3c(N)nc(N)nc32)[C@H](O)[C@H]1OAglycone:
CN(C)CC=CCN.Nc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 364.41 | Num_heavy_atoms: | 26 |
| TPSA: | 174.59 | 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 |
AD04213
Formula: C6H14N2
Smiles:
CN(C)CC=CCN| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 114.19 | Num_heavy_atoms: | 8 |
| TPSA: | 29.26 | NumAromaticRings: | 0 |
