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Chemical structure of Tomatine

GC37814

Tomatine

Also known as 2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-yl)oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Tomatine is a glycoalkaloid, found in the tomato plant (Lycopersicon esculentum Mill

ChemicalCAS17406-45-0MW1034.19FormulaC50H83NO21
CAS number
17406-45-0
Molecular weight
1034.19
Formula
C50H83NO21
Solubility
DMSO： 250 mg/mL (241·74 mM)
InChIKey
REJLGAUYTKNVJM-UHFFFAOYSA-N
Catalogue number
GC37814
Brand
GLPBIO
Computed properties PubChem CID 5513 · XLogP -0.7 · TPSA 338 Ų · H-bond donors 13
XLogP
-0.7
TPSA
338 Ų
H-bond donors
13
H-bond acceptors
22
Rotatable bonds
11
Heavy atoms
72

SMILES CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)NC1

Computed descriptors from PubChem (CID 5513), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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