Glycoside
GD032371
Name:
NoneFormula:
C18H18O7N2Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1C#CC(O)c1ccccc1Aglycone:
O=c1[nH]cc(C#CC(O)c2ccccc2)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 374.35 | Num_heavy_atoms: | 27 |
| TPSA: | 145.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD20767
Formula: C13H10O3N2
Smiles:
O=c1[nH]cc(C#CC(O)c2ccccc2)c(=O)[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.23 | Num_heavy_atoms: | 18 |
| TPSA: | 85.95 | NumAromaticRings: | 2 |
