Glycoside
GD049122
Name:
NoneFormula:
C12H18O7N2Smiles:
CCc1oncc1C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CCc1oncc1C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.28 | Num_heavy_atoms: | 21 |
| TPSA: | 145.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD26070
Formula: C6H8O2N2
Smiles:
CCc1oncc1C(N)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 69.12 | NumAromaticRings: | 1 |
