Saikosaponin D

柴胡皂苷D

PHY-NP-01347 · Natural product research catalog

Catalog number	PHY-NP-01347
CAS number	20874-52-6
Molecular formula	C₄₂H₆₈O₁₃
Molecular weight	780.993 g/mol
Chemical class	Triterpenoids
Purity / assay	Confirmed in quotation and batch COA

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Product information

Saikosaponin D is listed in the Triterpenoids 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	(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2R,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES	C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3C=C[C@@]56[C@]4(C[C@H]([C@@]7([C@H]5CC(CC7)(C)C)CO6)O)C)C)C)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O
InChIKey	KYWSCMDFVARMPN-LCSVLAELSA-N
Subclass / scaffold	Oleanane triterpenoids；皂苷/苷
PubChem CID	107793

Computed properties & structure classification

Exact mass (Da)	780.466	Predicted LogP	1.7769
Predicted TPSA (Å²)	207.99	H-bond donors	8
H-bond acceptors	13	Rotatable bonds	6
Ring count	8	Aromatic rings	0
Fraction Csp³	0.952	Synthetic accessibility score	7.26
QED score	0.143	Lipinski rule violations	3
NPClassifier pathway	Terpenoids	NPClassifier superclass	Triterpenoids
NPClassifier class	Oleanane triterpenoids	Parent SMILES	C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
Parent formula	C₄₂H₆₈O₁₃	Parent molecular weight	780.993
Specified stereocenters	21	Unspecified stereocenters	0

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

Reported natural occurrence

Main reported source	Bupleurum falcatum
LOTUS / Wikidata species	Bupleurum falcatum(镰叶柴胡)[16]；Bupleurum chinense(北柴胡)[2]；Bupleurum kaoi(高氏柴胡)[2]；Bupleurum kunmingense(韭叶柴胡)[1]；Bupleurum marginatum(竹叶柴胡)[1]；Bupleurum polyclonum(多枝柴胡)[1]；Bupleurum rockii(丽江柴胡)[1]；Bupleurum wenchuanense(汶川柴胡)[1]
Source families	Apiaceae[8]
LOTUS species records	8
LOTUS reference records	23
COCONUT occurrence records	Bupleurum chinense；Bupleurum falcatum；Bupleurum kaoi；Bupleurum kunmingense；Bupleurum marginatum；Bupleurum polyclonum；Bupleurum rockii；Bupleurum scorzonerifolium；Bupleurum smithii；Bupleurum wenchuanense
COCONUT organism records	10
COCONUT identifier	CNP0102764.8

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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