Glycoside
GD034419
Name:
NoneFormula:
C27H35O12NSmiles:
CNC(=O)c1cccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](C(O)[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)cc2)c1Aglycone:
CNC(=O)c1cccc(-c2ccc(O)cc2)c1Sugarmoiety:
OCC1OC(C(O)C2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 565.57 | Num_heavy_atoms: | 40 |
| TPSA: | 218.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD03916
Formula: C14H13O2N
Smiles:
CNC(=O)c1cccc(-c2ccc(O)cc2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 227.26 | Num_heavy_atoms: | 17 |
| TPSA: | 49.33 | NumAromaticRings: | 2 |
