Glycoside
GD083984
Name:
NoneFormula:
C22H25O7NSmiles:
C[C@H](C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cccc(C(=O)c2ccccc2)c1Aglycone:
CC(C(N)=O)c1cccc(C(=O)c2ccccc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 415.44 | Num_heavy_atoms: | 30 |
| TPSA: | 136.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD37252
Formula: C16H15O2N
Smiles:
CC(C(N)=O)c1cccc(C(=O)c2ccccc2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 253.3 | Num_heavy_atoms: | 19 |
| TPSA: | 60.16 | NumAromaticRings: | 2 |
