Glycoside
GD012018
Name:
BRUCEOLLINE FFormula:
C19H27O7NSmiles:
CC(C)(O)[C@H](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: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 381.43 | Num_heavy_atoms: | 27 |
| TPSA: | 135.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD09092
Formula: C13H17O2N
Smiles:
CC(C)(O)C(O)Cc1c[nH]c2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 219.28 | Num_heavy_atoms: | 16 |
| TPSA: | 56.25 | NumAromaticRings: | 2 |
