Glycoside
GD070275
Name:
NoneFormula:
C17H23O4N5Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCC4=CCCCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCC2=CCCCC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 361.4 | Num_heavy_atoms: | 26 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD33281
Formula: C12H14N5
Smiles:
C1=Nc2c(ncnc2NCC2=CCCCC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 228.28 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
