Glycoside
GD026544
Name:
NoneFormula:
C19H22O6N4Smiles:
Nc1ccn([C@@H]2O[C@H](CNCC3=CCOc4ccc(O)cc43)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CNCC1=CCOc2ccc(O)cc21.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 402.41 | Num_heavy_atoms: | 29 |
| TPSA: | 152.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD17492
Formula: C11H13O2N
Smiles:
CNCC1=CCOc2ccc(O)cc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.23 | Num_heavy_atoms: | 14 |
| TPSA: | 41.49 | NumAromaticRings: | 1 |
