Glycoside
GD034435
Name:
NoneFormula:
C28H37O11NSmiles:
CNC(=O)c1ccc(-c2ccc(C)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](C[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)c2)cc1Aglycone:
CNC(=O)c1ccc(-c2ccc(C)c(O)c2)cc1Sugarmoiety:
OCC1OC(CC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 563.6 | Num_heavy_atoms: | 40 |
| TPSA: | 198.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD21892
Formula: C15H15O2N
Smiles:
CNC(=O)c1ccc(-c2ccc(C)c(O)c2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.29 | Num_heavy_atoms: | 18 |
| TPSA: | 49.33 | NumAromaticRings: | 2 |
