Glycoside
GD012189
Name:
NoneFormula:
C19H24O7N4Smiles:
COc1ccc(CN(C)C(=O)[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)cc1OCAglycone:
COc1ccc(CN(C)C=O)cc1OC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.42 | Num_heavy_atoms: | 30 |
| TPSA: | 149.37 | 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 |
AD09205
Formula: C11H15O3N
Smiles:
COc1ccc(CN(C)C=O)cc1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 209.25 | Num_heavy_atoms: | 15 |
| TPSA: | 38.77 | NumAromaticRings: | 1 |
