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Chemical structure of Tubuloside B

GC61361

Tubuloside B

Also known as [(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Tubuloside B, one of the phenylethanoids isolated from the stems of Cistanche salsa, inhibits TNFα-induced apoptosis· Tubuloside B possesses antioxidative effects

ChemicalCAS112516-04-8MW666.62FormulaC31H38O16
CAS number
112516-04-8
Molecular weight
666.62
Formula
C31H38O16
InChIKey
HFJIGXAMJFDVFR-OMRKUVHCSA-N
Catalogue number
GC61361
Brand
GLPBIO
Computed properties PubChem CID 9831166 · XLogP 0.1 · TPSA 251 Ų · H-bond donors 8
XLogP
0.1
TPSA
251 Ų
H-bond donors
8
H-bond acceptors
16
Rotatable bonds
13
Heavy atoms
47

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2OC(=O)C)OCCC3=CC(=C(C=C3)O)O)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O

Computed descriptors from PubChem (CID 9831166), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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