Glycoside
GD027839
Name:
NoneFormula:
C12H16O6N2Smiles:
O=c1ccn([C@@H]2O[C@H](CO)[C@](O)(C3CC3)[C@H]2O)c(=O)[nH]1Aglycone:
O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1(O)C1CC1Other Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.27 | Num_heavy_atoms: | 20 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
