Glycoside
GD083207
Name:
NoneFormula:
C18H28O4N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCCC[NH+]2CCCC2)[C@@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNCCCC[NH+]1CCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 406.47 | Num_heavy_atoms: | 29 |
| TPSA: | 152.85 | 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 |
AD37159
Formula: C9H19ON2
Smiles:
O=CNCCCC[NH+]1CCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 171.26 | Num_heavy_atoms: | 12 |
| TPSA: | 33.54 | NumAromaticRings: | 0 |
