Glycoside
GD002842
Name:
NoneFormula:
C21H24O8N2Smiles:
CC(C)(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)(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: | 0.52 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.43 | Num_heavy_atoms: | 31 |
| TPSA: | 181.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD02665
Formula: C15H16O2N2
Smiles:
CC(C)(C#N)c1cc(C(=O)O)cc(C(C)(C)C#N)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.3 | Num_heavy_atoms: | 19 |
| TPSA: | 84.88 | NumAromaticRings: | 1 |
