Glycoside
GD016149
Name:
NoneFormula:
C21H25O8NSmiles:
O=C(NCCO)c1cccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c1Aglycone:
O=C(NCCO)c1cccc(-c2ccc(O)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 419.43 | Num_heavy_atoms: | 30 |
| TPSA: | 148.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD11665
Formula: C15H15O3N
Smiles:
O=C(NCCO)c1cccc(-c2ccc(O)cc2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 257.29 | Num_heavy_atoms: | 19 |
| TPSA: | 69.56 | NumAromaticRings: | 2 |
