Glycoside
GD012097
Name:
BRUCEOLLINE MFormula:
C19H25O7NSmiles:
CC(C)(O)C(=O)Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2ccccc12Aglycone:
CC(C)(O)C(=O)Cc1c[nH]c2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 379.41 | Num_heavy_atoms: | 27 |
| TPSA: | 132.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD09141
Formula: C13H15O2N
Smiles:
CC(C)(O)C(=O)Cc1c[nH]c2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 217.27 | Num_heavy_atoms: | 16 |
| TPSA: | 53.09 | NumAromaticRings: | 2 |
