Glycoside
GD009263
Name:
NoneFormula:
C20H22O8N2Smiles:
CC(C#N)c1cc(C(=O)OC2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc(C(C)(C)C#N)c1Aglycone:
CC(C#N)c1cc(C(=O)O)cc(C(C)(C)C#N)c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 181.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD07281
Formula: C14H14O2N2
Smiles:
CC(C#N)c1cc(C(=O)O)cc(C(C)(C)C#N)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.28 | Num_heavy_atoms: | 18 |
| TPSA: | 84.88 | NumAromaticRings: | 1 |
