Basic information
- CAS
35317-31-8- Standard SMILES
COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1OC- InChIKey
KADRARWKSLBLAJ-UHFFFAOYSA-N- Molecular formula
- C33H34O13S
- Average molar mass
- 670.7 g/mol
- Monoisotopic mass
- 670.17201231
Names & identifiers
- Preferred name
- Podophyllotoxin O-thenylidene-beta-D-glucopyranoside
- 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-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Names & synonyms
NSC 363607Podophyllotoxin-thenyliden-glucosidPodophyllotoxin-thenyliden-glucosid [German]Podophyllotoxin O-thenylidene-beta-D-glucopyranoside4,6-O-Thenylidene-beta-D-glucopyranoside podophillotoxinFuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-((4,6-O-(thenylidene)-beta-D-glucopyranosyl)oxy)-5-(3,4,5-trimethoxyphenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-alpha))-35317-31-8RefChem:373629
Database identifiers
- CAS
35317-31-8- PubChem CID
- 100191
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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