Glycoside
GD118190
Name:
Cimilactone BFormula:
C33H48O9Smiles:
CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CC=C3C2(C)CC3OC(=O)CC(C)C3C12CAglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)CC3OC(=O)CC(C)C3C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 588.74 | Num_heavy_atoms: | 42 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD47232
Formula: C28H40O5
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)CC3OC(=O)CC(C)C3C12C| HBA: | 5 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 4.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.62 | Num_heavy_atoms: | 33 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
