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Chemical structure of Terrestrosin D

GC37765

Terrestrosin D

Also known as (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one

Terrestrosin D, a steroidal saponin from Tribulus terrestris L·, induces cell cycle arrest and cancer cells apoptosis· Terrestrosin D has antiangiogenic activities

ChemicalCAS179464-23-4MW1049.16FormulaC50H80O23
CAS number
179464-23-4
Molecular weight
1049.16
Formula
C50H80O23
Solubility
Soluble in DMSO
InChIKey
IXUNZKARBRITGN-WDJYAXNWSA-N
Catalogue number
GC37765
Brand
GLPBIO
Computed properties PubChem CID 101995328 · XLogP -2 · TPSA 352 Ų · H-bond donors 12
XLogP
-2
TPSA
352 Ų
H-bond donors
12
H-bond acceptors
23
Rotatable bonds
11
Heavy atoms
73

SMILES C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1

Computed descriptors from PubChem (CID 101995328), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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