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Chemical structure of Sylvestroside I

GC60349

Sylvestroside I

Also known as methyl (1S,4aS,6S,7R,7aS)-6-[(2S,3R,4S)-3-ethenyl-4-(2-hydroxyethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carbonyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Sylvestroside I is an iridoid isolated from Acicarpha tribuloides

ChemicalCAS71431-22-6MW748.72FormulaC33H48O19
CAS number
71431-22-6
Molecular weight
748.72
Formula
C33H48O19
InChIKey
VSNATUGVSVGFFN-RXSNYNEVSA-N
Catalogue number
GC60349
Brand
GLPBIO
Computed properties PubChem CID 101967019 · XLogP -2.3 · TPSA 290 Ų · H-bond donors 9
XLogP
-2.3
TPSA
290 Ų
H-bond donors
9
H-bond acceptors
19
Rotatable bonds
14
Heavy atoms
52

SMILES C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)C4=CO[C@H]([C@@H]([C@@H]4CCO)C=C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

Computed descriptors from PubChem (CID 101967019), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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