Structure Database (LMSD)
Systematic Name
(25S)-26-O-[(3S)-3-hydroxy-3-methylglutaryl]-22,25-epoxy-furost-5-en-3β-yl O-α-L-rhamnopyranosyl-(1-2)-O-[β-D-glucopyranosyl-(1-4)]-β-D-glucopyranoside
Synonyms
3D model of
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)
XNAWKIDGMHWXEJ-HWYHBKQGSA-N
InChi (Click to copy)
InChI=1S/C50H78O22/c1-22-34(56)36(58)38(60)43(65-22)70-42-40(62)41(69-44-39(61)37(59)35(57)30(19-51)67-44)31(20-52)68-45(42)66-24-8-10-48(4)23(14-24)6-7-25-26(48)9-11-49(5)27(25)15-29-28(49)16-50(71-29)13-12-47(3,72-50)21-64-33(55)18-46(2,63)17-32(53)54/h6,22,24-31,34-45,51-52,56-63H,7-21H2,1-5H3,(H,53,54)/t22-,24-,25+,26-,27-,28-,29-,30+,31+,34-,35+,36+,37-,38+,39+,40-,41+,42+,43-,44-,45+,46-,47-,48-,49-,50-/m0/s1
SMILES (Click to copy)
C1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)CC2=CC[C@]3([H])[C@@]([H])([C@@]12C)CC[C@@]1([C@@]2([H])C[C@]4(O[C@@](COC(=O)C[C@@](C)(O)CC(=O)O)(C)CC4)O[C@@]2([H])C[C@@]31[H])C
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Fritillaria camschatcensis
(#61236)
Magnoliopsida
(#3398)
Three novel furospirostanol glycosides and a steroidal alkaloid glycoside from the bulbs of Fritillaria camtschatcensis (L.) Ker Gawl., and their cytotoxicity,
Nat Prod Res, 2021
Nat Prod Res, 2021
Pubmed ID:
33715543
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
72
Rings
9
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
947.78
Topological Polar Surface Area
350.09
Hydrogen Bond Donors
11
Hydrogen Bond Acceptors
22
logP
5.83
Molar Refractivity
254.18
Admin
Created at
15th Mar 2021
Updated at
16th Mar 2021