Podophyllotoxin glucoside
5-[(7,8-dihydroxy-2-phenyl-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
Also Known As: Podophyllotoxin glucoside|AC1L1MBN|Podophyllotoxin o-benzylidene-.beta.-D-glucopyranoside|5-[(7,8-dihydroxy-2-phenyl-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|Podophyllotoxin 1-O-beta-D-glycoside; Podophyllotoxin 4-O-glucoside; NSC 163024; Podophyllotoxin-4-O-beta-D-glucopyranoside
| Molecular Formula | C35H36O13 |
|---|---|
| Molecular Weight | 664.2156 g/mol |
| LogP | 2.99 |
| Topological Polar Surface Area | 149.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 664.2156 |
| Heavy Atoms | 48 |
| Complexity | 1653.4 |
Chemical Identifiers
| CAS Number | 16481-54-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CC=C8)O)O |
Product Overview
Podophyllotoxin glucoside (CAS 16481-54-2), with molecular formula C35H36O13 and molecular weight 664.2156 g/mol. IUPAC: 5-[(7,8-dihydroxy-2-phenyl-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.
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