Glycoside
GD025127
Name:
NoneFormula:
C14H16O6N2Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1C#CC1CC1Aglycone:
O=c1[nH]cc(C#CC2CC2)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 308.29 | Num_heavy_atoms: | 22 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD16697
Formula: C9H8O2N2
Smiles:
O=c1[nH]cc(C#CC2CC2)c(=O)[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 176.17 | Num_heavy_atoms: | 13 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
