Glycoside
GD008678
Name:
NoneFormula:
C12H16O5N6Smiles:
Nc1ncnc2c1ncn2C1O[C@H](C(=O)NCCO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNCCOSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 324.3 | Num_heavy_atoms: | 23 |
| TPSA: | 168.64 | 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 |
AD03090
Formula: C3H7O2N
Smiles:
O=CNCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 89.09 | Num_heavy_atoms: | 6 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
