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Substance Name: Sophoraflavoside III
RN: 147666-62-4
InChIKey: UZUDYISDRMHJQH-UHFFFAOYSA-N

Molecular Weight

  • 1105.22
 
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Names and Synonyms

Name of Substance

  • Sophoraflavoside III

Synonym

  • 3-O-alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranosyl oxytrogenin 22-O-alpha-L-arabinopyranoside

Registry Numbers

CAS Registry Number

  • 147666-62-4

System Generated Number

  • 0147666624

Structure Descriptors

InChI

1S/C53H84O24/c1-21-31(57)34(60)39(44(67)70-21)77-45-40(35(61)33(59)25(19-54)71-45)75-41-37(63)36(62)38(42(64)65)76-46(41)73-28-11-12-50(4)26(51(28,5)20-55)10-13-53(7)27(50)9-8-22-23-17-48(2,47(68)69)18-29(49(23,3)14-15-52(22,53)6)72-30-16-24(56)32(58)43(66)74-30/h8,21,23-41,43-46,54-63,66-67H,9-20H2,1-7H3,(H,64,65)(H,68,69)

InChIKey

UZUDYISDRMHJQH-UHFFFAOYSA-N

Smiles

O[C@@H]1O[C@@H](O[C@@H]2C[C@@](C[C@@H]3[C@@]2(CC[C@@]2(C3=CC[C@@H]3[C@@]2(CC[C@@H]2[C@@]3(CC[C@@H]([C@@]2(CO)C)O[C@@H]2[C@@H]([C@@H](O)[C@@H]([C@@H](C(O)=O)O2)O)O[C@@H]2[C@@H](O[C@@H]3[C@@H](O)O[C@@H]([C@@H]([C@@H]3O)O)C)O[C@@H]([C@@H]([C@@H]2O)O)CO)C)C)C)C)(C(O)=O)C)C[C@@H]([C@@H]1O)O