Glycoside
GD021288
Name:
NoneFormula:
C16H23O5N5Smiles:
C[C@]1(O)C(n2cnc3c(NCC4CCCO4)ncnc32)O[C@H](CO)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCC2CCCO2)[N]1Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 365.39 | Num_heavy_atoms: | 26 |
| TPSA: | 134.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD14580
Formula: C10H12ON5
Smiles:
C1=Nc2c(ncnc2NCC2CCCO2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 218.24 | Num_heavy_atoms: | 16 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
