Glycoside
GD003910
Name:
BRUCEOLLINE NFormula:
C19H27O9NSmiles:
CC(C)(O)[C@H](O)C[C@]1(O)C(=O)N([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2ccccc21Aglycone:
CC(C)(O)C(O)CC1(O)C(=O)Nc2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.63 |
| AlogP: | -2.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 413.42 | Num_heavy_atoms: | 29 |
| TPSA: | 171.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD03480
Formula: C13H17O4N
Smiles:
CC(C)(O)C(O)CC1(O)C(=O)Nc2ccccc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 251.28 | Num_heavy_atoms: | 18 |
| TPSA: | 89.79 | NumAromaticRings: | 1 |
