Glycoside
GD027727
Name:
BRUCEOSIDE EFormula:
C31H42O16Smiles:
CC(C)CC(=O)O[C@@H]1C(=O)O[C@@H]2C[C@@H]3[C@H](C)C(=O)C(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)=C[C@@]3(C)[C@@H]3[C@H](O)[C@H](O)[C@]4(C(=O)O)OC[C@]32[C@H]14Aglycone:
CC(C)CC(=O)OC1C(=O)OC2CC3C(C)C(=O)C(O)=CC3(C)C3C(O)C(O)C4(C(=O)O)OCC23C14Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 670.66 | Num_heavy_atoms: | 47 |
| TPSA: | 256.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD18192
Formula: C25H32O11
Smiles:
CC(C)CC(=O)OC1C(=O)OC2CC3C(C)C(=O)C(O)=CC3(C)C3C(O)C(O)C4(C(=O)O)OCC23C14| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 508.52 | Num_heavy_atoms: | 36 |
| TPSA: | 176.89 | NumAromaticRings: | 0 |
