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Chemical structure of Yuanhuacine

GC60389

Yuanhuacine

Also known as [(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-[(1E,3E)-nona-1,3-dienyl]-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] benzoate

Yuanhuacine (Gnidilatidin), a daphnane diterpenoid from the flowers of Daphne genkwa with extensive anti-tumor activity· Yuanhuacine is a DNA-damaging agent with orally active

ChemicalCAS60195-70-2MW648.74FormulaC37H44O10
CAS number
60195-70-2
Molecular weight
648.74
Formula
C37H44O10
InChIKey
CGSGRJNIABXQJQ-NSCQCFIPSA-N
Catalogue number
GC60389
Brand
GLPBIO
Computed properties PubChem CID 5358691 · XLogP 4.8 · TPSA 144 Ų · H-bond donors 3
XLogP
4.8
TPSA
144 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
47

SMILES CCCCC/C=C/C=C/[C@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C7=CC=CC=C7)C)C=C(C6=O)C)O)O)CO

Computed descriptors from PubChem (CID 5358691), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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