Glycoside
GD028164
Name:
NoneFormula:
C27H30O10N4Smiles:
CC(=O)OC[C@@H]1O[C@H](OCc2cn(Cc3ccc4ccccc4n3)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.OCc1cn(Cc2ccc3ccccc3n2)nn1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 10 |
| MolWt: | 570.56 | Num_heavy_atoms: | 41 |
| TPSA: | 167.26 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD18436
Formula: C13H12ON4
Smiles:
OCc1cn(Cc2ccc3ccccc3n2)nn1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.27 | Num_heavy_atoms: | 18 |
| TPSA: | 63.83 | NumAromaticRings: | 3 |
