(3alpha,6beta,9xi,16alpha,24S)-6,16-Dihydroxy-3-(beta-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-25-yl beta-D-glucopyranoside | CAS No. 136033-55-1

(3alpha,6beta,9xi,16alpha,24S)-6,16-Dihydroxy-3-(beta-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-25-yl beta-D-glucopyranoside

Basic Information

CAS Number

136033-55-1

Molecular Formula

C41H68O14

Molecular Weight

784.97 g/mol

AD

Basic Physical Properties

Physical State

Powder

CC1(C)[C@@H]2[C@H](O)C[C@@H]3C4(C[C@@]42CC[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)CC[C@]1(C)[C@H]([C@H](O)C[C@]13C)[C@@]1(C)CC[C@H](O1)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI

InChI=1S/C41H68O14/c1-35(2)24(53-33-29(49)26(46)21(45)17-51-33)9-11-41-18-40(41)13-12-37(5)32(20(44)15-38(37,6)23(40)14-19(43)31(35)41)39(7)10-8-25(54-39)36(3,4)55-34-30(50)28(48)27(47)22(16-42)52-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21-,22-,23+,24-,25+,26+,27-,28+,29-,30-,31+,32+,33+,34+,37-,38+,39-,40?,41-/m1/s1

InChIKey

MSSYPWFHLFBMMP-JVTUHBPGSA-N

LogP

0.7241000000000026

Topological Polar Surface Area

228.21999999999994 Ų

Hydrogen Bond Donor/Acceptor

9 / 14

Complexity

1460

Synonyms & References

English

  • Isoastragaloside IV
  • (3beta,6alpha,16beta,20R,24S)-20,24-Epoxy-6,16-dihydroxy-3-(beta-D-xylopyranosyloxy)-9,19-cyclolanostan-25-yl beta-D-glucopyranoside

MDL Number

MFCD31715420

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