Glycoside
GD016401
Name:
NoneFormula:
C18H27O4N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)[C@H](N)C2CCCCC2)[C@H](O)[C@H]1OAglycone:
CNC(=O)C(N)C1CCCCC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 405.46 | Num_heavy_atoms: | 29 |
| TPSA: | 174.43 | 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 |
AD11813
Formula: C9H18ON2
Smiles:
CNC(=O)C(N)C1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.26 | Num_heavy_atoms: | 12 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
