LIPID MAPS

Structure Database (LMSD)

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Common Name

Parisvanioside D

Systematic Name

(25R)-spirost-7-ene-3β,5α-diol-6β-methoxy-3-O-α-l-rhamnopyranosyl-(1-2)-β-d-glucopyranoside

Synonyms

LM ID

LMST01080105

Formula

C₄₀H₆₄O₁₄

Exact Mass

Calculate m/z

768.42961

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

XBOYTQOODRPCJC-LKNFVYQKSA-N

InChi (Click to copy)

InChI=1S/C40H64O14/c1-18-7-12-40(49-17-18)19(2)28-25(54-40)14-24-22-13-27(48-6)39(47)15-21(8-11-38(39,5)23(22)9-10-37(24,28)4)51-36-34(32(45)30(43)26(16-41)52-36)53-35-33(46)31(44)29(42)20(3)50-35/h13,18-21,23-36,41-47H,7-12,14-17H2,1-6H3/t18-,19+,20+,21+,23+,24+,25+,26-,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38-,39+,40-/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@@]2(O)[C@@](C)([C@@]3([H])CC[C@]4(C)[C@H]5[C@@H]([C@]6(O[C@H]5C[C@@]4([H])C3=C[C@H]2OC)CC[C@@H](C)CO6)C)C1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Paris vaniotii (#374967)

Magnoliopsida (#3398)

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

Pubmed ID: 34896125

Other Databases

PubChem CID

171120935

Calculated Physicochemical Properties

Heavy Atoms 54

Rings 8

Aromatic Rings

Rotatable Bonds 6

Van der Waals Molecular Volume 722.10

Topological Polar Surface Area 214.50

Hydrogen Bond Donors 7

Hydrogen Bond Acceptors 14

logP 6.00

Molar Refractivity 197.86

Admin

Created at

14th Dec 2021

Updated at