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Chemical structure of Lirioprolioside B

GC39105

Lirioprolioside B

Also known as [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate

Lirioprolioside B is a steroidal glycoside isolated from the underground organs of Liriope spicata var· prolifera

ChemicalCAS182284-68-0MW764.94FormulaC41H64O13
CAS number
182284-68-0
Molecular weight
764.94
Formula
C41H64O13
Solubility
Soluble in DMSO
InChIKey
KSIVGTKSVYIZEB-ZAVODWKASA-N
Catalogue number
GC39105
Brand
GLPBIO
Computed properties PubChem CID 91973810 · XLogP 3.1 · TPSA 183 Ų · H-bond donors 5
XLogP
3.1
TPSA
183 Ų
H-bond donors
5
H-bond acceptors
13
Rotatable bonds
6
Heavy atoms
54

SMILES C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)OC(=O)C)O)C)C)C)OC1

Computed descriptors from PubChem (CID 91973810), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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