Glycoside
GD140030
Name:
5-[4-(2-chlorocyclopropyl)but-1-en-3-yn-1-yl]-13-[(4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy]-1-hydroxy-9-methoxy-7,10,12-trimethyl-4,15-dioxabicyclo[9.3.1]pentadec-7-en-3-oneFormula:
C33H47O10ClSmiles:
COC1C=C(C)CC(C=CC#CC2CC2Cl)OC(=O)CC2(O)CC(OC3OC(C)C(O)C(C)(O)C3OC)C(C)C(O2)C1CAglycone:
COC1C=C(C)CC(C=CC#CC2CC2Cl)OC(=O)CC2(O)CC(O)C(C)C(O2)C1CSugarmoiety:
COC1C(O)OC(C)C(O)C1(C)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 627.17 | Num_heavy_atoms: | 43 |
| TPSA: | 133.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD56458
Formula: C25H33O6Cl
Smiles:
COC1C=C(C)CC(C=CC#CC2CC2Cl)OC(=O)CC2(O)CC(O)C(C)C(O2)C1C| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 452.98 | Num_heavy_atoms: | 31 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
