Glycoside
GD032383
Name:
NoneFormula:
C17H16O6N2Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1C#Cc1ccccc1Aglycone:
O=c1[nH]cc(C#Cc2ccccc2)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 124.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD01806
Formula: C12H8O2N2
Smiles:
O=c1[nH]cc(C#Cc2ccccc2)c(=O)[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 0 |
| MolWt: | 212.21 | Num_heavy_atoms: | 16 |
| TPSA: | 65.72 | NumAromaticRings: | 2 |
