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Polyphyllin VII

CAT: 0957-S9515-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0957-S9515-01Size:1 mg
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Description
Polyphyllin VII (Y-0166), the the main member of polyphyllin family, shows strong anticancer activity against several carcinomas, including lung cancer, breast cancer, colorectal cancer, cervical cancer, hepatocellular carcinoma and osteosarcoma.
CAS Number
76296-75-8
Synonyms
Y-0166
Target
Others
Activity
Others
Molecular Formula
C51H84O22
Storage Conditions
3 years -20°C powder

Chemical Information

polyphyllin VII

isolated from Dactylogyrus intermedius and Paris polyphylla; structure in first source

CAS Number76296-75-8
PubChem CID46200822
IUPAC Name2-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[[6-methoxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Molecular FormulaC51H84O22
Molecular Weight1049.2
XLogP-0.6
Topological Polar Surface Area335
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count22
Rotatable Bond Count16
Heavy Atom Count73
Formal Charge0
Complexity1880
SMILES
CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC
InChI
InChI=1S/C51H84O22/c1-21(20-65-45-40(61)38(59)35(56)30(17-52)68-45)9-14-51(64-6)22(2)33-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,4)27(26)11-13-50(28,33)5)67-48-42(63)44(72-46-41(62)37(58)34(55)23(3)66-46)43(32(19-54)70-48)71-47-39(60)36(57)31(18-53)69-47/h7,21-23,25-48,52-63H,8-20H2,1-6H3
InChIKey
GJHYVTIBXQFLKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of polyphyllin VII
CAS: 76296-75-8
CID: 46200822
Formula: C51H84O22
MW: 1049.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1049.2
XLogP3-0.6
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count22
Rotatable Bond Count16
Exact Mass1048.54542430
Monoisotopic Mass1048.54542430
Topological Polar Surface Area335 Ų
Heavy Atom Count73
Formal Charge0
Complexity1880
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count30
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
294500-01Polyphyllin A
TP049263Polyphyllin Ⅵ
TP049264Polyphyllin Ⅶ
FP73840-01Polyphyllin II
OP59478Polyphyllin C
HY-W019830-01Polyphyllin F
HY-N0047-01Polyphyllin I
AB1965Polyphyllin VII
AB0596Polyphyllin VI
MBS579647Polyphyllin B

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