Structure Database (LMSD)

Common Name
Solanidine 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranoside
Systematic Name
solanid-5-en-3β-yl 3-O-α-L-rhamnopyranosyl-(1-2)-β-D-glucopyranoside
Synonyms
  • beta-Chaconine
LM ID
LMST01150017
Status
Active
Exact Mass
Calculate m/z
705.445199
Formula


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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
ZLSYCIYRYZUJCZ-MTXMLOAPSA-N
InChi (Click to copy)
InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@H]5[C@H](C)[C@@]6([H])CC[C@H](C)CN6[C@H]5C[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)C1

References

Reference
Basic steroid saponins from aerial parts of Fritillaria Thunbergii
Phytochemistry 1982
DOI: 10.1016/0031-9422(82)80040-X

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Fritillaria thunbergii (#108546)
Magnoliopsida (#3398)
Basic steroid saponins from aerial parts of Fritillaria Thunbergii,
Phytochemistry, 1982

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 50
Rings 8
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 680.64
Topological Polar Surface Area 165.68
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 6.62
Molar Refractivity 189.92

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Created at
16th Mar 2021
Updated at
16th Mar 2021