Glycoside
GD003876
Name:
NoneFormula:
C17H20O6N2Smiles:
CC(c1ccccc1)n1c(=O)ccn(C2O[C@H](CO)[C@H](O)[C@H]2O)c1=OAglycone:
CC(c1ccccc1)n1c(=O)cc[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.36 | Num_heavy_atoms: | 25 |
| TPSA: | 113.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD03455
Formula: C12H12O2N2
Smiles:
CC(c1ccccc1)n1c(=O)cc[nH]c1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 216.24 | Num_heavy_atoms: | 16 |
| TPSA: | 54.86 | NumAromaticRings: | 2 |
