Home > Products > Screening Compounds P98586 > Wubangziside C

Wubangziside C

Catalog Number: EVT-1535931

CAS Number: 99759-20-3

Molecular Formula: C25H28O15

Molecular Weight: 568.5 g/mol

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Product Introduction

Properties

CAS Number

99759-20-3

Product Name

Wubangziside C

IUPAC Name

1,3,7-trihydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[(3R,4R,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]xanthen-9-one

Molecular Formula

C25H28O15

Molecular Weight

568.5 g/mol

InChI

InChI=1S/C25H28O15/c1-37-25-21(36)18(33)20(35)23(40-25)11-15(30)10-13(28)7-4-6(27)2-3-8(7)38-22(10)12(16(11)31)24-19(34)17(32)14(29)9(5-26)39-24/h2-4,9,14,17-21,23-27,29-36H,5H2,1H3/t9-,14-,17+,18-,19-,20-,21+,23?,24+,25+/m1/s1

InChI Key

YTMKKGWOVJLDSZ-IJEFIPCUSA-N

SMILES

COC1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C4=C(O3)C=CC(=C4)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O

Synonyms

1,3,7-trihydroxy-xanthone-2,4-di-D-glucopyranoside
wubangziside C

Canonical SMILES

COC1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C4=C(O3)C=CC(=C4)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O

Isomeric SMILES

CO[C@@H]1[C@H]([C@@H]([C@H](C(O1)C2=C(C(=C3C(=C2O)C(=O)C4=C(O3)C=CC(=C4)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O

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