Glycoside
GD036707
Name:
NoneFormula:
C19H20O7N2Smiles:
Cc1c(C#CC(O)c2ccccc2)c(=O)[nH]c(=O)n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Cc1[nH]c(=O)[nH]c(=O)c1C#CC(O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 388.38 | Num_heavy_atoms: | 28 |
| TPSA: | 145.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD23155
Formula: C14H12O3N2
Smiles:
Cc1[nH]c(=O)[nH]c(=O)c1C#CC(O)c1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 85.95 | NumAromaticRings: | 2 |
