Glycoside
GD026833
Name:
NoneFormula:
C18H22O7N4Smiles:
COc1cc2c(cc1CNC[C@@H]1O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]1O)OCO2Aglycone:
CNCc1cc2c(cc1OC)OCO2.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.4 | Num_heavy_atoms: | 29 |
| TPSA: | 150.32 | 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 |
AD17667
Formula: C10H13O3N
Smiles:
CNCc1cc2c(cc1OC)OCO2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 195.22 | Num_heavy_atoms: | 14 |
| TPSA: | 39.72 | NumAromaticRings: | 1 |
