Glycoside
GD037310
Name:
NoneFormula:
C23H22O5N2Smiles:
CC1(C)c2cc(OC[C@H](O)[C@H](O)CO)ccc2C(=O)c2c1[nH]c1ccc(C#N)cc21Aglycone:
CC1(C)c2ccccc2C(=O)c2c1[nH]c1ccc(C#N)cc21Sugarmoiety:
OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.44 | Num_heavy_atoms: | 30 |
| TPSA: | 126.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD23513
Formula: C19H14ON2
Smiles:
CC1(C)c2ccccc2C(=O)c2c1[nH]c1ccc(C#N)cc21| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.16 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 286.33 | Num_heavy_atoms: | 22 |
| TPSA: | 56.65 | NumAromaticRings: | 3 |
