LIPID MAPS

Structure Database (LMSD)

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Common Name

Pariposide A

Systematic Name

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

Synonyms

LM ID

LMST01080106

Formula

C₃₉H₆₀O₁₄

Exact Mass

Calculate m/z

752.39831

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

YNGKHNOQSPLFRE-UZZXZPFFSA-N

InChi (Click to copy)

InChI=1S/C39H60O14/c1-18-6-11-39(46-17-18)19(2)26-22(51-39)14-25-35(26,4)9-8-24-36(5)10-7-21(15-37(36)12-13-38(24,25)53-52-37)48-34-32(30(44)28(42)23(16-40)49-34)50-33-31(45)29(43)27(41)20(3)47-33/h12-13,18-34,40-45H,6-11,14-17H2,1-5H3/t18-,19+,20+,21+,22+,23-,24-,25-,26+,27+,28-,29-,30+,31-,32-,33+,34-,35+,36-,37-,38-,39-/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](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)C[C@@]23OO[C@]4([C@]5([H])C[C@@H]6O[C@@]7([C@@H](C)[C@@H]6[C@@]5(C)CC[C@]4([H])[C@@]2(C)C1)CC[C@@H](C)CO7)C=C3

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

162858942

Calculated Physicochemical Properties

Heavy Atoms 53

Rings 10

Aromatic Rings

Rotatable Bonds 5

Van der Waals Molecular Volume 688.64

Topological Polar Surface Area 207.64

Hydrogen Bond Donors 6

Hydrogen Bond Acceptors 14

logP 6.32

Molar Refractivity 190.80

Admin

Created at

15th Dec 2021

Updated at