Glycoside
GD032503
Name:
Beesioside IFormula:
C39H60O12Smiles:
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H]2[C@]3(C)CC[C@](C(C)(C)O)(OC[C@]24CC[C@@]25C[C@]26CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]6CC[C@H]5[C@]14C)O3Aglycone:
CC(=O)OC1C2C3(C)CCC(C(C)(C)O)(OCC24CCC25CC26CCC(O)C(C)(C)C6CCC5C4(C)C1OC(C)=O)O3Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 720.9 | Num_heavy_atoms: | 51 |
| TPSA: | 170.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD20844
Formula: C34H52O8
Smiles:
CC(=O)OC1C2C3(C)CCC(C(C)(C)O)(OCC24CCC25CC26CCC(O)C(C)(C)C6CCC5C4(C)C1OC(C)=O)O3| HBA: | 8 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 4.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 588.78 | Num_heavy_atoms: | 42 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
