Glycoside
GD002659
Name:
Bruceoside-FFormula:
C35H46O18Smiles:
CC(=O)OC(C)(C)C(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(=O)OC(C)(C)C(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: | 18 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.74 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 754.74 | Num_heavy_atoms: | 53 |
| TPSA: | 282.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD02510
Formula: C29H36O13
Smiles:
CC(=O)OC(C)(C)C(C)=CC(=O)OC1C(=O)OC2CC3C(C)C(=O)C(O)=CC3(C)C3C(O)C(O)C4(C(=O)O)OCC23C14| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 592.59 | Num_heavy_atoms: | 42 |
| TPSA: | 203.19 | NumAromaticRings: | 0 |
