AI48454
34540-22-2 | Madecassoside
Manufacturer: A2B Chem
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CatalogNumber
AI48454
ChemicalName
Madecassoside
CasNumber
34540-22-2
MolecularFormula
C48H78O20
MolecularWeight
975.1209
MdlNumber
MFCD03411893
Smiles
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@]4(CC3)C)(C)C[C@@H](O)[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Complexity
1860
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
28
HeavyAtomCount
68
HydrogenBondAcceptorCount
20
HydrogenBondDonorCount
13
RotatableBondCount
10
Xlogp3
-1.2
