Glycoside
GD021378
Name:
NoneFormula:
C17H21O5N5Smiles:
Nc1nc(C#CC2(O)CCCC2)nc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(C#CC2(O)CCCC2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 375.39 | Num_heavy_atoms: | 27 |
| TPSA: | 159.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD02912
Formula: C12H12ON5
Smiles:
Nc1nc(C#CC2(O)CCCC2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 242.26 | Num_heavy_atoms: | 18 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
