Glycoside
GD019957
Name:
BRUCEOLLINE KFormula:
C19H23O7NSmiles:
CC1(C)c2[nH]c3ccccc3c2C(=O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)c2[nH]c3ccccc3c2C(=O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 377.39 | Num_heavy_atoms: | 27 |
| TPSA: | 132.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD13851
Formula: C13H13O2N
Smiles:
CC1(C)c2[nH]c3ccccc3c2C(=O)C1O| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 215.25 | Num_heavy_atoms: | 16 |
| TPSA: | 53.09 | NumAromaticRings: | 2 |
