Glycoside
GD131593
Name:
Cimiracemoside PFormula:
C37H54O11Smiles:
CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OC(=O)C1(C)OC41Aglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OC(=O)C1(C)OC41Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 9 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 674.83 | Num_heavy_atoms: | 48 |
| TPSA: | 153.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD53303
Formula: C32H46O7
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OC(=O)C1(C)OC41| HBA: | 7 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 542.71 | Num_heavy_atoms: | 39 |
| TPSA: | 94.59 | NumAromaticRings: | 0 |
