Glycoside
GD024010
Name:
NoneFormula:
C31H48O11NBrSmiles:
C[C@@H]1O[C@H](O[C@@H]2C[C@H](O[C@@H]3O[C@H](C)[C@H](O)C[C@H]3O)[C@H](O[C@H](C)CCCCC(=O)Nc3cccc(Br)c3)O[C@H]2C)[C@H](O)C[C@H]1OAglycone:
CC(O)CCCCC(=O)Nc1cccc(Br)c1Sugarmoiety:
CC1OC(OC2CC(OC3OC(C)C(O)CC3O)C(O)OC2C)C(O)CC1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 12 |
| MolWt: | 690.63 | Num_heavy_atoms: | 44 |
| TPSA: | 165.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD16078
Formula: C13H18O2NBr
Smiles:
CC(O)CCCCC(=O)Nc1cccc(Br)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 300.2 | Num_heavy_atoms: | 17 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
