Glycoside
GD030512
Name:
NoneFormula:
C18H27O3N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CCCC23CCNCC3)[C@H](O)[C@H]1OAglycone:
CN1CCCC12CCNCC2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 389.46 | Num_heavy_atoms: | 28 |
| TPSA: | 134.58 | 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 |
AD19744
Formula: C9H18N2
Smiles:
CN1CCCC12CCNCC2| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 154.26 | Num_heavy_atoms: | 11 |
| TPSA: | 15.27 | NumAromaticRings: | 0 |
