Glycoside
GD007491
Name:
NoneFormula:
C21H20O5N6Smiles:
CONc1nc(C#Cc2ccc(CC#N)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CONc1nc(C#Cc2ccc(CC#N)cc2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.43 | Num_heavy_atoms: | 32 |
| TPSA: | 158.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD06099
Formula: C16H11ON6
Smiles:
CONc1nc(C#Cc2ccc(CC#N)cc2)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 303.31 | Num_heavy_atoms: | 23 |
| TPSA: | 97.29 | NumAromaticRings: | 2 |
