Glycoside
GD068440
Name:
NoneFormula:
C15H21O5N5Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NC[C@H]4CCCO4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCC2CCCO2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 351.36 | Num_heavy_atoms: | 25 |
| 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 |
