Glycoside
GD024879
Name:
NoneFormula:
C20H24O5N4Smiles:
Nc1ccn([C@@H]2O[C@H](CNCc3ccc(C#CCCO)cc3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CNCc1ccc(C#CCCO)cc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 400.44 | Num_heavy_atoms: | 29 |
| TPSA: | 142.86 | 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 |
AD16562
Formula: C12H15ON
Smiles:
CNCc1ccc(C#CCCO)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 189.26 | Num_heavy_atoms: | 14 |
| TPSA: | 32.26 | NumAromaticRings: | 1 |
