Glycoside
GD089433
Name:
NoneFormula:
C21H27O4N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCC[N@H+]4CCc5ccccc5C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCC[NH+]2CCc3ccccc3C2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 427.49 | Num_heavy_atoms: | 31 |
| TPSA: | 129.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD39013
Formula: C16H18N6
Smiles:
C1=Nc2c(ncnc2NCC[NH+]2CCc3ccccc3C2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 294.36 | Num_heavy_atoms: | 22 |
| TPSA: | 68.71 | NumAromaticRings: | 2 |
