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Polyphyllin VII

CAT: 1568-C14331-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:1568-C14331-1mgSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76296-75-8
Synonyms
Y-0166
Target
Others
Applications
Others
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
Molecular Formula
C51H84O22
Additionnal Information
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.
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-N0047-01Polyphyllin I
HY-W019830-01Polyphyllin F
AB1965Polyphyllin VII
AB0596Polyphyllin VI
MBS579647Polyphyllin B

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