Glycoside
GD005092
Name:
Cimiracemoside HFormula:
C37H58O11Smiles:
CC(=O)O[C@@H]1C[C@@]23C[C@]24CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@@]4(O)[C@@H](OC(C)(C)[C@H]4O)[C@H](C)[C@H]3[C@]12CAglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3OC4(O)C(OC(C)(C)C4O)C(C)C3C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD04358
Formula: C32H50O7
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3OC4(O)C(OC(C)(C)C4O)C(C)C3C12C| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 546.75 | Num_heavy_atoms: | 39 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
