Glycoside
GD034607
Name:
NoneFormula:
C19H28O3N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CCCC23CCCCC3)[C@H](O)[C@H]1OAglycone:
CN1CCCC12CCCCC2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 388.47 | Num_heavy_atoms: | 28 |
| TPSA: | 122.55 | 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 |
AD21982
Formula: C10H19N
Smiles:
CN1CCCC12CCCCC2| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 0 |
| MolWt: | 153.27 | Num_heavy_atoms: | 11 |
| TPSA: | 3.24 | NumAromaticRings: | 0 |
