LIPID MAPS

Structure Database (LMSD)

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Common Name

Pariposide B

Systematic Name

(25R)-spirost-6-ene-3β-ol-5α,8α-epidioxy-3-O-α-l-rhamnopyranosyl-(1-4)-α-L-Apiofuranosyl-(1 -2)- β-D-glucopyranoside

Synonyms

LM ID

LMST01080108

Formula

C₄₄H₆₈O₁₈

Exact Mass

Calculate m/z

884.44057

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

GQUYKBYGBHOYJR-PXDMJJKMSA-N

InChi (Click to copy)

InChI=1S/C44H68O18/c1-20-6-11-44(54-17-20)21(2)28-24(60-44)14-27-39(28,4)9-8-26-40(5)10-7-23(15-42(40)12-13-43(26,27)62-61-42)56-37-34(59-36-31(49)30(48)29(47)22(3)55-36)32(50)33(25(16-45)57-37)58-38-35(51)41(52,18-46)19-53-38/h12-13,20-38,45-52H,6-11,14-19H2,1-5H3/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-/m1/s1

SMILES (Click to copy)

O([C@@H]1[C@@H](CO)O[C@@H](O[C@@H]2C[C@@]34OO[C@]5([C@]6([H])C[C@@H]7O[C@@]8([C@@H](C)[C@@H]7[C@@]6(C)CC[C@]5([H])[C@@]3(C)CC2)CC[C@@H](C)CO8)C=C4)[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@H]1O)[C@H]1[C@H](O)[C@@](CO)(O)CO1

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

171120928

Calculated Physicochemical Properties

Heavy Atoms 62

Rings 11

Aromatic Rings

Rotatable Bonds 8

Van der Waals Molecular Volume 797.94

Topological Polar Surface Area 268.63

Hydrogen Bond Donors 8

Hydrogen Bond Acceptors 18

logP 6.21

Molar Refractivity 219.96

Admin

Created at

15th Dec 2021

Updated at