Glycoside
GD008357
Name:
NoneFormula:
C21H25O4N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NCC4CCCc5ccccc54)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCC2CCCc3ccccc32)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 411.46 | Num_heavy_atoms: | 30 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD06680
Formula: C16H16N5
Smiles:
C1=Nc2c(ncnc2NCC2CCCc3ccccc32)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 278.34 | Num_heavy_atoms: | 21 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
