Picroside Ii

CAS 39012-20-9  ·  C23H28O13  ·  MW 512.5 g/mol

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3D model Picroside Ii, CAS 39012-20-9, molecular formula C23H28O13, molar mass 512.5 g/mol
About Picroside Ii

Picroside Ii is a chemical compound registered under number CAS 39012-20-9, with the molecular formula C23H28O13, and a molar mass of 512.5 g/mol.

The molecule contains 64 atoms connected by 68 chemical bonds. The full systematic IUPAC name of this compound is [(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxybenzoate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = -1.4 (negative value, a hydrophilic compound), polar surface area PSA = 197 Ų, 6 donors and 13 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC23H28O13
Masa molowa512.5 g/mol
IUPAC[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxybenzoate
SMILESCOC1=C(C=CC(=C1)C(=O)O[C@H]2[C@@H]3C=CO[C@H]([C@@H]3[C@@]4([C@H]2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChIKeyAKNILCMFRRDTEY-NUGKWEEESA-N
logP (XLogP3)-1.4
PSA197 Ų
HBD / HBA6 / 13
PubChem CIDCID 11944602 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

Scientific literature

Related literature

8 articles · 6 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (8 articles)

2019: 1 articles20192020: 1 articles2024: 4 articles20242025: 2 articles2025

Bar height = number of articles per year. Hover dla szczegółów.

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
Picroside II · 39012-20-9 · Vanilloyl catalpol · 6-Vanilloylcatalpol · Ampicoside · XX0PFP9RVI · 1961245-47-5 · RefChem:174197 · DTXCID601333961 · 254-247-6 · C23H28O13 · PicrosideII · Picroside 2 · AMPHICOSIDE II · Picrosid II, HPLC Grade
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Picroside Ii — CAS 39012-20-9

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
Picroside Ii (CAS 39012-20-9) — License & Provenance

Source:
Picroside Ii (CAS 39012-20-9) — MolGod molecule record

Source data: PubChem CID 11944602

STL: Download 3D model (1 MB)

SHA-256: 4ae523c8d100d6edf0b8b2de359203ebe7befd65c0073578cddb6e79b107f071

Wikimedia Commons: not published yet

Source data: PubChem CID 11944602

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