LIPID MAPS

Structure Database (LMSD)

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Common Name

Pariposide E

Systematic Name

Stigmasta-5,22E-dien-3β-ol 3-O-β-D-glucopyranosyl-(1-6)-[β-D-glucopyranosyl-(112)]-β-D-glucopyranoside

Synonyms

LM ID

LMST01040279

Formula

C₄₇H₇₈O₁₆

Exact Mass

Calculate m/z

898.52899

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

YFZMUVCBXJEYAF-IRNBMRAHSA-N

InChi (Click to copy)

InChI=1S/C47H78O16/c1-7-24(22(2)3)9-8-23(4)28-12-13-29-27-11-10-25-18-26(14-16-46(25,5)30(27)15-17-47(28,29)6)59-45-42(63-44-41(57)38(54)35(51)32(20-49)61-44)39(55)36(52)33(62-45)21-58-43-40(56)37(53)34(50)31(19-48)60-43/h8-11,22-45,48-57H,7,12-21H2,1-6H3/b9-8+/t23-,24-,25?,26+,27?,28-,29+,30+,31-,32-,33-,34-,35-,36-,37+,38+,39+,40-,41-,42-,43-,44+,45-,46+,47-/m1/s1

SMILES (Click to copy)

C1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)O2)CC2[C@@](C)([C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@@H](CC)C(C)C)C)CC[C@@]4([H])C3C=C2)C1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Paris polyphylla var. yunnanensis (#221260)

Magnoliopsida (#3398)

Parisvaniosides A-E, five new steroidal saponins from Paris vaniotii,
Steroids, 2021

Pubmed ID: 34896125

Other Databases

PubChem CID

171120929

Calculated Physicochemical Properties

Heavy Atoms 63

Rings 7

Aromatic Rings

Rotatable Bonds 14

Van der Waals Molecular Volume 870.50

Topological Polar Surface Area 263.89

Hydrogen Bond Donors 10

Hydrogen Bond Acceptors 16

logP 6.57

Molar Refractivity 235.61

Admin

Created at

15th Dec 2021

Updated at