A1EGX

Guaijaverin

Created:	2024-12-03
Last modified:	2025-06-25

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1 entries where A1EGX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	4
Bond Count	52
Aromatic Bond Count	12

2D diagram of A1EGX

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Chemical Component Summary
Name	Guaijaverin
Systematic Name (OpenEye OEToolkits)	2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3-[(2~{S},3~{R},4~{S},5~{S})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-chromen-4-one
Formula	C₂₀ H₁₈ O₁₁
Molecular Weight	434.35
Type	L-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH]1CO[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)OC4C(C(C(CO4)O)O)O)O)O
Canonical SMILES	CACTVS	3.385	O[C@H]1CO[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H](CO4)O)O)O)O)O
InChI	InChI	1.06	InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1
InChIKey	InChI	1.06	PZZRDJXEMZMZFD-IEGSVRCHSA-N

Related Resource References

Resource Name	Reference
PubChem	5481224
ChEMBL	CHEMBL464507

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