Basic information
- CAS
131123-73-4- Standard SMILES
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(COC7OCC(O)C(O)C7O)C(OC7OCC(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C- InChIKey
LJWQGBHQGFNPJP-UHFFFAOYSA-N- Molecular formula
- C43H70O16
- Average molar mass
- 843 g/mol
- Monoisotopic mass
- 842.46638614
Names & identifiers
- Preferred name
- Spirostan-3-yl pentopyranosyl-(1->4)-[pentopyranosyl-(1->6)]hexopyranoside
- IUPAC
- 2-[[4,5-dihydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
- English name
- Aspafilioside B
- Molecular formula
- C43H70O16
- Molecular weight
- 843.02
Names & synonyms
spirostan-3-yl pentopyranosyl-(1->4)-[pentopyranosyl-(1->6)]hexopyranoside2-[[4,5-Dihydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triolDTXSID60927082Aspafilioside Bβ-D-Glucopyranoside, (3β,5β,25S)-spirostan-3-yl O-α-L-arabinopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→4)]-
Database identifiers
- CAS
131123-73-4- PubChem CID
- 148362
- DTXSID
DTXSID60927082
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 236 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 7
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,480
Physicochemical properties
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 12.77 · 12.77±0.70(Predicted)
Chemistry & industry
Applications
DescriptionAspafilioside B is a steroidal saponin extracted from Asparagus filicinus that inhibits the growth and proliferation of HCC cell lines.
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…