Glycoside
GD115105
Name:
Beesioside JFormula:
C39H62O12Smiles:
CC(=O)OC1C(C2(C)CCC(C(C)(C)O)O2)C2(CO)CCC34CC35CCC(OC3OCC(O)C(O)C3O)C(C)(C)C5CCC4C2(C)C1OC(C)=OAglycone:
CC(=O)OC1C(C2(C)CCC(C(C)(C)O)O2)C2(CO)CCC34CC35CCC(O)C(C)(C)C5CCC4C2(C)C1OC(C)=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 722.91 | Num_heavy_atoms: | 51 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD45475
Formula: C34H54O8
Smiles:
CC(=O)OC1C(C2(C)CCC(C(C)(C)O)O2)C2(CO)CCC34CC35CCC(O)C(C)(C)C5CCC4C2(C)C1OC(C)=O| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 590.8 | Num_heavy_atoms: | 42 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
