Glycoside
GD000328
Name:
NoneFormula:
C16H18O5N6Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCc2ccco2)[N]1Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.36 | Num_heavy_atoms: | 27 |
| TPSA: | 147.56 | NumAromaticRings: | 3 |
Unique Aglycone
AD00372
Formula: C10H8ON5
Smiles:
C1=Nc2c(ncnc2NCc2ccco2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 214.21 | Num_heavy_atoms: | 16 |
| TPSA: | 77.41 | NumAromaticRings: | 2 |
