Glycoside
GD030696
Name:
NoneFormula:
C17H22O4N6Smiles:
Nc1ncnc2c1ncn2C1O[C@H](C(=O)NC2CC3CCC2C3)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNC1CC2CCC1C2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 374.4 | Num_heavy_atoms: | 27 |
| TPSA: | 148.41 | 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 |
AD19851
Formula: C8H13ON
Smiles:
O=CNC1CC2CCC1C2| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 139.2 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
