Glycoside
GD004566
Name:
Cimiracemoside NFormula:
C37H56O10Smiles:
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(C[C@H](C)[C@H]3[C@]12C)OC[C@]1(C)O[C@H]14Aglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OCC1(C)OC14Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 9 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 660.85 | Num_heavy_atoms: | 47 |
| TPSA: | 136.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD03968
Formula: C32H48O6
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OCC1(C)OC14| HBA: | 6 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.97 |
| AlogP: | 5.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 528.73 | Num_heavy_atoms: | 38 |
| TPSA: | 77.52 | NumAromaticRings: | 0 |
