LIPID MAPS

Structure Database (LMSD)

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Common Name

Trillfurostanoside G

Systematic Name

26-O-β-D-glucopyranosyl-(25R)-furostan-3β,5α,6β,17α,22α,26-hexahydroxy-3-O-α-l-rhamnopyranosyl-(1-4)-α-l-rhamnopyranosyl-(1-4)-[α-l-rhamnopyranosyl-(1-2)]-β-D-glucopyranoside

Synonyms

3-O-(Rhaa1-4Rhaa1-4(Rhaa1-2)Glcb)-(25R)-furosta-3beta,5alpha,6beta,17alpha,22alpha,26-hexol

LM ID

LMST01070019

Formula

C₅₇H₉₆O₂₉

Exact Mass

Calculate m/z

1244.603735

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

UGOIXOPVIZAGKG-WQZKAANRSA-N

InChi (Click to copy)

InChI=1S/C57H96O29/c1-20(19-76-48-40(68)38(66)35(63)29(17-58)81-48)8-13-56(74)24(5)57(75)32(86-56)15-28-26-14-31(60)55(73)16-25(9-11-53(55,6)27(26)10-12-54(28,57)7)80-52-47(85-50-42(70)37(65)34(62)22(3)78-50)44(72)46(30(18-59)82-52)84-51-43(71)39(67)45(23(4)79-51)83-49-41(69)36(64)33(61)21(2)77-49/h20-52,58-75H,8-19H2,1-7H3/t20-,21+,22+,23+,24-,25+,26-,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40-,41-,42-,43-,44+,45+,46-,47-,48-,49+,50+,51+,52-,53-,54+,55+,56-,57-/m1/s1

SMILES (Click to copy)

[C@]12(C[C@@H](O)[C@@]3(O)C[C@@H](O[C@H]4[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@H](C)O5)[C@@H](CO)O4)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]3(O)[C@@H]([C@@](O)(CC[C@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C)O[C@H]3C[C@@]21[H])C)[H]

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Trillium tschonoskii (#82502)

Magnoliopsida (#3398)

Furostanol Saponins from Trillium tschonoskii Promote the Expansion of Human Cord Blood Hematopoietic Stem and Progenitor Cells.,
J Nat Prod, 2020

Pubmed ID: 32870000

Other Databases

PubChem CID

171121275

Calculated Physicochemical Properties

Heavy Atoms 86

Rings 10

Aromatic Rings 0

Rotatable Bonds 16

Van der Waals Molecular Volume 1125.97

Topological Polar Surface Area 478.09

Hydrogen Bond Donors 18

Hydrogen Bond Acceptors 29

logP 3.89

Molar Refractivity 301.66

Admin

Created at

7th Sep 2020

Updated at