Glycoside
GD015447
Name:
NoneFormula:
C20H20O6N6Smiles:
CONc1nc(C#Cc2ccc(C(N)=O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CONc1nc(C#Cc2ccc(C(N)=O)cc2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.42 | Num_heavy_atoms: | 32 |
| TPSA: | 177.87 | NumAromaticRings: | 3 |
Unique Aglycone
AD11223
Formula: C15H11O2N6
Smiles:
CONc1nc(C#Cc2ccc(C(N)=O)cc2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 307.29 | Num_heavy_atoms: | 23 |
| TPSA: | 116.59 | NumAromaticRings: | 2 |
