Glycoside
GD004930
Name:
BORAPETOSIDE DFormula:
C33H46O16Smiles:
COC(=O)C1=CCC[C@@H]2[C@](C)(C[C@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c3ccoc3)[C@@H]3C[C@H](OC3=O)[C@]12CAglycone:
COC(=O)C1=CCCC2C(C)(CC(O)c3ccoc3)C3CC(OC3=O)C12CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 698.72 | Num_heavy_atoms: | 49 |
| TPSA: | 244.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD04244
Formula: C21H26O6
Smiles:
COC(=O)C1=CCCC2C(C)(CC(O)c3ccoc3)C3CC(OC3=O)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.43 | Num_heavy_atoms: | 27 |
| TPSA: | 85.97 | NumAromaticRings: | 1 |
