Glycoside
GD084024
Name:
NoneFormula:
C18H27O6N5Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCCCOC[C@H]4CCCO4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCCCOCC2CCCO2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 409.44 | Num_heavy_atoms: | 29 |
| TPSA: | 144.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD37494
Formula: C13H18O2N5
Smiles:
C1=Nc2c(ncnc2NCCCOCC2CCCO2)[N]1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 276.32 | Num_heavy_atoms: | 20 |
| TPSA: | 82.73 | NumAromaticRings: | 1 |
