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Chemical structure of Terrestrosin K

GC37766

Terrestrosin K

Also known as (1R,2S,4S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-10-one

Terrestrosin K, a steroidal saponin from Tribulus terrestris L

ChemicalCAS193605-07-1MW1079.18FormulaC51H82O24
CAS number
193605-07-1
Molecular weight
1079.18
Formula
C51H82O24
Solubility
Soluble in DMSO
InChIKey
TVRRDUXJKROMDX-CXLJPAHDSA-N
Catalogue number
GC37766
Brand
GLPBIO
Computed properties PubChem CID 101707500 · XLogP -2.9 · TPSA 383 Ų · H-bond donors 14
XLogP
-2.9
TPSA
383 Ų
H-bond donors
14
H-bond acceptors
24
Rotatable bonds
16
Heavy atoms
75

SMILES CC1=C(O[C@@H]2[C@H]1[C@@]3([C@@H](C2)[C@@H]4CC[C@H]5C[C@H](CC[C@@]5([C@H]4CC3=O)C)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)C)CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O

Computed descriptors from PubChem (CID 101707500), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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