Structure Database (LMSD)
Common Name
Trillfurostanoside I
Systematic Name
26-O-β-D-glucopyranosyl-(25R)-furost-5-en-3β,17α,22α,26-tetrahydroxy-3-O-α-l-rhamnopyranosyl-(1-2)-[β-D-glucopyranosyl-(1-6)]-O-β-D-glucopyranoside
Synonyms
- 3-O-(Rhaa1-2)-(Glcb1-6)-Glcb)-26-O-(Glcb)-(25R)-furosta-3beta,5alpha,6beta,17alpha,22alpha,26-tetrol
3D model of Trillfurostanoside I
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
OHPMCOUIYISHCB-KHPIDDNSSA-N
InChi (Click to copy)
InChI=1S/C51H84O24/c1-20(18-67-44-40(62)37(59)33(55)28(16-52)71-44)8-13-50(65)22(3)51(66)31(75-50)15-27-25-7-6-23-14-24(9-11-48(23,4)26(25)10-12-49(27,51)5)70-47-43(74-46-42(64)36(58)32(54)21(2)69-46)39(61)35(57)30(73-47)19-68-45-41(63)38(60)34(56)29(17-53)72-45/h6,20-22,24-47,52-66H,7-19H2,1-5H3/t20-,21+,22-,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-/m1/s1
SMILES (Click to copy)
[C@]12(CC=C3C[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](CO[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)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
J Nat Prod, 2020
Pubmed ID:
32870000
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
75
Rings
9
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
987.94
Topological Polar Surface Area
396.87
Hydrogen Bond Donors
15
Hydrogen Bond Acceptors
24
logP
4.12
Molar Refractivity
265.88
Admin
Created at
7th Sep 2020
Updated at
7th Sep 2020