Glycoside
GD110364
Name:
Beesioside KFormula:
C37H58O11Smiles:
CC(=O)O[C@H]1[C@@H](O)[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@@]23CO[C@@]2(C(C)(C)O)CC[C@](C)(O2)[C@@H]13Aglycone:
CC(=O)OC1C2C3(C)CCC(C(C)(C)O)(OCC24CCC25CC26CCC(O)C(C)(C)C6CCC5C4(C)C1O)O3Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD16791
Formula: C32H50O7
Smiles:
CC(=O)OC1C2C3(C)CCC(C(C)(C)O)(OCC24CCC25CC26CCC(O)C(C)(C)C6CCC5C4(C)C1O)O3| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 546.75 | Num_heavy_atoms: | 39 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
