LIPID MAPS

Structure Database (LMSD)

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Common Name

Pariposide C

Systematic Name

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

Synonyms

LM ID

LMST01080107

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)

PZXXFFBCGKDHFB-QGMLVCNKSA-N

InChi (Click to copy)

InChI=1S/C44H68O18/c1-19-6-11-44(53-18-19)20(2)28-23(60-44)14-27-40(28,4)9-8-26-41(5)10-7-22(15-42(41)12-13-43(26,27)62-61-42)55-39-36(59-37-33(51)31(49)29(47)21(3)54-37)34(52)35(25(17-46)57-39)58-38-32(50)30(48)24(16-45)56-38/h12-13,19-39,45-52H,6-11,14-18H2,1-5H3/t19-,20+,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]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1CC[C@]2([C@]3(C1)C=C[C@]1([C@@]2(CC[C@]2([C@]1(C[C@H]1[C@@H]2[C@H](C)[C@]2(OC[C@@H](CC2)C)O1)[H])C)[H])OO3)C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O1

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

162961805

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