Podophyllotoxin glucoside

C28H32O13CAS 16481-54-2576.55 g/mol

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AcetalAlcoholEsterEtherLactone

Properties

Molecular formula
C28H32O13
Molar mass
576.55 g/mol
Exact mass
576.1843 Da
Melting point
149–152 °C
logP
0.23Crippen estimate
Polar surface area
171.8 Ų
H-bond donors / acceptors
4 / 13
Rotatable bonds
7
Stereocentres
R, R, R, R, S, S, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
16481-54-2
SMILES
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC
InChIKey
NXVJTGLCCSFGAT-QNDDJFOYSA-N
InChI
InChI=1S/C28H32O13/c1-34-17-4-11(5-18(35-2)26(17)36-3)20-12-6-15-16(39-10-38-15)7-13(12)25(14-9-37-27(33)21(14)20)41-28-24(32)23(31)22(30)19(8-29)40-28/h4-7,14,19-25,28-32H,8-10H2,1-3H3/t14-,19+,20+,21-,22+,23-,24+,25-,28-/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-(β-D-glucopyranosyloxy)-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR,9R)-
  • Podophyllotoxin, β-D-glucopyranoside
  • Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-(β-D-glucopyranosyloxy)-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5α,5aβ,8aα,9α)]-
  • (5R,5aR,8aR,9R)-9-(β-D-Glucopyranosyloxy)-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one
  • Podophyllotoxin β-D-glucoside
  • Podophyllotoxin 3-β-D-glucopyranoside
  • Podophyllotoxin 4-O-glucoside
  • NSC 163024
  • Podophyllotoxin-4-O-β-D-glucopyranoside
  • Podophyllotoxin 1-O-β-D-glycoside
  • Podophyllotoxin 7′-O-β-D-glucopyranoside

Work with Podophyllotoxin glucoside

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Etoposide33419-42-066 % similar Etoposide phosphate117091-64-264 % similar Picropodophyllin477-47-463 % similar Podophyllotoxin518-28-563 % similar Podophyllum (resin)9000-55-963 % similar Teniposide29767-20-259 % similar 4'-Demethylpodophyllotoxin40505-27-956 % similar (-)-4′-Demethylepipodophyllotoxin6559-91-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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