Glycoside
GD013684
Name:
NoneFormula:
C23H27O9N5Smiles:
CC(=O)OC1COC(Nc2nc(NCc3ccccc3)n(C)c(=O)c2N=O)C(OC(C)=O)C1OC(C)=OAglycone:
Cn1c(NCc2ccccc2)nc(N)c(N=O)c1=OSugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 517.5 | Num_heavy_atoms: | 37 |
| TPSA: | 176.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD10171
Formula: C12H13O2N5
Smiles:
Cn1c(NCc2ccccc2)nc(N)c(N=O)c1=O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 259.27 | Num_heavy_atoms: | 19 |
| TPSA: | 102.37 | NumAromaticRings: | 2 |
