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Chemical structure of Gipsoside

GC19977

Gipsoside

Also known as 6-[[8a-[5-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid

Gypenoside is a triterpene saponin from gypsophila paniculata L

ChemicalCAS15588-68-8MW1791.83FormulaC80H126O44
CAS number
15588-68-8
Molecular weight
1791.83
Formula
C80H126O44
InChIKey
VJDBQMHOQSSGGS-UHFFFAOYSA-N
Catalogue number
GC19977
Brand
GLPBIO
Computed properties PubChem CID 167308 · XLogP -8 · TPSA 683 Ų · H-bond donors 23
XLogP
-8
TPSA
683 Ų
H-bond donors
23
H-bond acceptors
44
Rotatable bonds
23
Heavy atoms
124

SMILES CC1C(C(C(C(O1)OC2C(OC(C(C2O)OC3C(C(C(CO3)O)OC4C(C(C(CO4)O)O)O)O)OC(=O)C56CCC(CC5C7=CCC8C9(CCC(C(C9CCC8(C7(CC6)C)C)(C)C=O)OC1C(C(C(C(O1)C(=O)O)OC1C(C(C(C(O1)CO)OC1C(C(C(C(O1)CO)O)O)O)O)O)OC1C(C(C(CO1)O)O)O)O)C)(C)C)C)O)OC1C(C(C(CO1)O)O)O)O

Computed descriptors from PubChem (CID 167308), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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