Miscellaneous

Androsin

草夹竹桃苷

PHY-NP-04061 · Natural product research catalog

Catalog number	PHY-NP-04061
CAS number	531-28-2
Molecular formula	C₁₅H₂₀O₈
Molecular weight	328.317 g/mol
Chemical class	Miscellaneous
Purity / assay	Confirmed in quotation and batch COA

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Product information

Androsin is listed in the Miscellaneous section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name	1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
SMILES	CC(=O)C1=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC
InChIKey	QUOZWMJFTQUXON-UXXRCYHCSA-N
PubChem CID	164648

Computed properties & structure classification

Exact mass (Da)	328.1158	Predicted LogP	-0.9235
Predicted TPSA (Å²)	125.68	H-bond donors	4
H-bond acceptors	8	Rotatable bonds	5
Ring count	2	Aromatic rings	1
Fraction Csp³	0.533	Synthetic accessibility score	3.36
QED score	0.511	Lipinski rule violations	0
Parent SMILES	COc1cc(C(C)=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	Parent formula	C₁₅H₂₀O₈
Parent molecular weight	328.317	Specified stereocenters	5
Unspecified stereocenters	0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

Main reported source	Picrorhiza kurroa
LOTUS / Wikidata species	Picrorhiza kurroa[3]；Picrorhiza kurrooa(库洛胡黄连)[3]；Iris domestica(射干)[1]；Justicia adhatoda(鸭嘴花)[1]；Neopicrorhiza scrophulariiflora(胡黄连)[1]；Penstemon pinifolius[1]；Picea glauca(白云杉)[1]；Picea obovata(新疆云杉)[1]；Picrorhiza scrophulariiflora(胡黄莲)[1]；Pyrola japonica(日本鹿蹄草)[1]；Sargentodoxa cuneata(大血藤)[1]；Stachys byzantina(绵毛水苏)[1]；Stachys palaestina[1]；Thymus vulgaris(普通百里香)[1]；tomato(番茄)[1]
Source families	Plantaginaceae[5]；Lamiaceae[3]；Pinaceae[2]；Iridaceae[1]；Acanthaceae[1]；Ericaceae[1]
LOTUS species records	15
LOTUS reference records	15
COCONUT occurrence records	Achlys triphylla；Aconitum liljestrandii；Albizia procera；Alectoria ochroleuca；Artemisia giraldii；Artemisia porrecta；Belamcanda Chinensis；Belamcanda chinensis；Belamcanda sp.；Betonica grandiflora；Bulbophyllum protractum；Bursera tonkinensis；Calystegia pubescens；Cistanche deserticola；Cistanche tubulosa；Cypripedium calceolus；Dendrocalamus strictus；Diospyros glaucifolia；Elymnias thryallis；Funtumia africana；Garcinia ovalifolia；Helichrysum splendidum；Hesperocyparis bakeri；Hortonia floribunda；Iris domestica；Iris sp.；Iris tectorum；Justicia adhatoda；Lactuca laciniata；Lampranthus sociorum；…
COCONUT organism records	64
COCONUT identifier	CNP0270683.1

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Download structure · SDF ↓Download structure image ↓View PubChem record ↗

Structure files describe the catalog record. They are not COA, SDS or evidence of batch quality.

Documents & specifications

Certificate of analysis (COA)	Batch-specific document pending; not available in this preview
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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