Glycoside
GD105065
Name:
NoneFormula:
C26H32O7N2Smiles:
CC(=O)O[C@@H]1[C@@H](OC(C)=O)O[C@@H](/C=N\N(C)C)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
C=NN(C)C.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC(=O)OC1OC(O)C(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 10 |
| MolWt: | 484.55 | Num_heavy_atoms: | 35 |
| TPSA: | 95.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD44036
Formula: C3H8N2
Smiles:
C=NN(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 72.11 | Num_heavy_atoms: | 5 |
| TPSA: | 15.6 | NumAromaticRings: | 0 |
