Basic information
- CAS
125851-00-5- Standard SMILES
COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O- InChIKey
NRUKOCRGYNPUPR-UHFFFAOYSA-N- Molecular formula
- C32H32O13S
- Average molar mass
- 656.7 g/mol
- Monoisotopic mass
- 656.15636224
Overview
Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-2-thenylidene-beta-D-glucopyranoside) has been reported in Linum flavum with data available.
Names & identifiers
- Preferred name
- 9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo(3',4':6,7)naphtho(2,3-d)(1,3)dioxol-5-yl 4,6-O-((thiophen-2-yl)methylidene)hexopyranoside
- IUPAC
- 5-[(7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Names & synonyms
DTXSID60860440125851-00-59-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo(3',4':6,7)naphtho(2,3-d)(1,3)dioxol-5-yl 4,6-O-((thiophen-2-yl)methylidene)hexopyranoside9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(thiophen-2-yl)methylidene]hexopyranosideRefChem:1074905DTXCID70209341Veham-SandozC32H32O13SMLS000766234TenoposideVehem-sandozEpipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-2-thenylidene-beta-D-glucopyranoside)
Show more names
Neuro_000056CHEMBL1571037SCHEMBL13809319SCHEMBL293552694'-Demethylepipodophyllotoxin 9-[4,6-O-(R)-2-thenylidene-.beta.-D-glucopyranoside]NRUKOCRGYNPUPR-UHFFFAOYSA-NHMS5080G07s1787
Database identifiers
- CAS
125851-00-5
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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