DX0

Steviolmonoside

Created:	2019-09-17
Last modified:	2022-08-22

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1 entries where DX0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	74
Chiral Atom Count	11
Bond Count	78
Aromatic Bond Count	0

2D diagram of DX0

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Chemical Component Summary
Name	Steviolmonoside
Formula	C₂₆ H₄₀ O₈
Molecular Weight	480.591
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[C]12CCC[C](C)([CH]1CC[C]34CC(=C)[C](CC[CH]23)(C4)O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)O)(C)C(=O)O
Canonical SMILES	CACTVS	3.385	C[C@@]12CCC[C@](C)([C@H]1CC[C@]34CC(=C)[C@](CC[C@@H]23)(C4)O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)(C)C(=O)O
InChI	InChI	1.06	InChI=1S/C26H40O8/c1-14-11-25-9-5-16-23(2,7-4-8-24(16,3)22(31)32)17(25)6-10-26(14,13-25)34-21-20(30)19(29)18(28)15(12-27)33-21/h15-21,27-30H,1,4-13H2,2-3H3,(H,31,32)/t15-,16-,17-,18-,19+,20-,21+,23+,24+,25+,26-/m0/s1
InChIKey	InChI	1.06	QSIDJGUAAUSPMG-BNVBOWSRSA-N

Related Resource References

Resource Name	Reference
PubChem	139593615

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.