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Podophyllotoxin 4-O-glucoside

CAT: 0013-GTR19236923-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236923-01Size:50 mg
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Description
Podophyllotoxin 4-O-glucoside is a natural product of Dysosma, Berberidaceae. Podophyllotoxin 4-O-glucoside can be used as a reference standard.
CAS Number
16481-54-2
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 50 mg/mL (86.72 mM)
Molecular Formula
C28H32O13
Molecular Weight
576.55
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Podophyllotoxin glucoside

Podophyllotoxin glucoside has been reported in Podophyllum peltatum, Linum catharticum, and other organisms with data available.

CAS Number16481-54-2
PubChem CID161177
IUPAC Name(5R,5aR,8aR,9R)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Molecular FormulaC28H32O13
Molecular Weight576.5
XLogP0.4
Topological Polar Surface Area172
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count41
Formal Charge0
Complexity907
SMILES
COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
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
InChIKey
NXVJTGLCCSFGAT-QNDDJFOYSA-N
Chemical Structure
2D Structure
2D structure of Podophyllotoxin glucoside
CAS: 16481-54-2
CID: 161177
Formula: C28H32O13
MW: 576.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.5
XLogP30.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass576.18429107
Monoisotopic Mass576.18429107
Topological Polar Surface Area172 Ų
Heavy Atom Count41
Formal Charge0
Complexity907
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
300802Podophyllotoxin-7-O-glucoside (Podophyllotoxin-4-O-glucoside)
TRC-P681010-5MGPodophyllotoxin 4-O-Glucoside
AB2080Podophyllotoxin-4-O-glucoside
TBW00233Podophyllotoxin-7-O-glucoside
BUP23925-01Podophyllotoxin glucoside
TRC-P423100-2.5GO-TBDPS-Podophyllotoxin
TRC-P681005-25MG4'-(O-Podophyllotoxin-9-oxy) Etoposide
433877-014'- (O-Podophyllotoxin-9-oxy) Etoposide
AR-P02260-014'-Demethyl epi-Podophyllotoxin (DMEP)
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