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SummaryGeometryRelated PDB entries

SL0

Summary
Name:5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 3,4-di-O-acetyl-6-deoxy-alpha-L-mannopyranoside
Synonyms:SL 0101-1
Formula:C25 H24 O12
Formal charge:0
Formula weight:516.451 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 3,4-di-O-acetyl-6-deoxy-alpha-L-mannopyranoside
OpenEye OEToolkits1.7.2[4-acetyloxy-6-[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-2-methyl-5-oxidanyl-oxan-3-yl] ethanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2C(OC1OC(C(OC(=O)C)C(OC(=O)C)C1O)C)=C(Oc3cc(O)cc(O)c23)c4ccc(O)cc4
InChIInChI1.03InChI=1S/C25H24O12/c1-10-21(34-11(2)26)24(35-12(3)27)20(32)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-30,32H,1-3H3/t10-,20+,21-,24-,25-/m0/s1
InChIKeyInChI1.03SXOZSDJHGMAEGZ-IGKKHSBFSA-N
SMILES_CANONICALCACTVS3.370C[C@@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O
SMILESCACTVS3.370C[CH]1O[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[CH](O)[CH](OC(C)=O)[CH]1OC(C)=O
SMILES_CANONICALOpenEye OEToolkits1.7.2CC1C(C(C(C(O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(cc4)O)O)OC(=O)C)OC(=O)C
SMILESOpenEye OEToolkits1.7.2CC1C(C(C(C(O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(cc4)O)O)OC(=O)C)OC(=O)C

223790

PDB entries from 2024-08-14

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