Glycoside
GD030322
Name:
NoneFormula:
C18H21O5N4ClSmiles:
COc1ccc(Cl)cc1CNC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
CNCc1cc(Cl)ccc1OC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 396.83 | Num_heavy_atoms: | 27 |
| TPSA: | 131.86 | 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 |
AD19622
Formula: C10H12ONCl
Smiles:
CNCc1cc(Cl)ccc1OC| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 185.65 | Num_heavy_atoms: | 12 |
| TPSA: | 21.26 | NumAromaticRings: | 1 |
