Glycoside
GD033418
Name:
NoneFormula:
C13H16O7N2Smiles:
C#CCOc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2OC)c(=O)[nH]c1=OAglycone:
C#CCOc1c[nH]c(=O)[nH]c1=OSugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 312.28 | Num_heavy_atoms: | 22 |
| TPSA: | 123.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD03001
Formula: C7H6O3N2
Smiles:
C#CCOc1c[nH]c(=O)[nH]c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.14 | Num_heavy_atoms: | 12 |
| TPSA: | 74.95 | NumAromaticRings: | 1 |
