Glycoside
GD078828
Name:
NoneFormula:
C19H26O6N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cccc(C(C)(C)C#N)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C)(C#N)c1cccc(C(=O)NCCO)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 378.43 | Num_heavy_atoms: | 27 |
| TPSA: | 132.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD36215
Formula: C13H16O2N2
Smiles:
CC(C)(C#N)c1cccc(C(=O)NCCO)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 232.28 | Num_heavy_atoms: | 17 |
| TPSA: | 73.12 | NumAromaticRings: | 1 |
