Cas no 125085-16-7 (Aster saponin A)
Aster saponin A structure
Product Name:Aster saponin A
CAS No:125085-16-7
MF:C67H108O34
MW:1457.55404567719
CID:2007615
PubChem ID:75368808
Update Time:2025-04-21
Aster saponin A Chemical and Physical Properties
Names and Identifiers
-
- Aster saponin A
- NCGC00385321-01
- 125085-16-7
- Astersaponin A
- AKOS040736092
- SCHEMBL25964852
-
- Inchi： 1S/C67H108O34/c1-25-47(96-55-45(83)48(32(73)21-90-55)97-54-43(81)38(76)30(71)19-89-54)49(98-59-51(85)66(87,23-68)24-93-59)46(84)57(94-25)99-50-39(77)31(72)20-91-58(50)101-60(86)67-14-13-61(2,3)15-27(67)26-9-10-35-63(6)16-28(69)52(62(4,5)34(63)11-12-64(35,7)65(26,8)17-36(67)74)100-56-44(82)41(79)40(78)33(95-56)22-92-53-42(80)37(75)29(70)18-88-53/h9,25,27-59,68-85,87H,10-24H2,1-8H3/t25-,27-,28-,29-,30+,31+,32-,33+,34?,35?,36+,37-,38-,39-,40+,41-,42+,43+,44+,45+,46+,47-,48-,49-,50+,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-,64+,65+,66+,67+/m0/s1
- InChI Key： QCJUSXGOFMUXCB-HGJJLTKJSA-N
- SMILES： O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]2[C@@H]([C@H]([C@H](CO2)O)O)O)O1)O)O)O)[C@H]1[C@H](C[C@@]2(C)C(CC[C@@]3(C)[C@]4(C)C[C@H]([C@@]5(C(=O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@H](C)O6)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)O[C@H]6[C@@H]([C@@](CO)(CO6)O)O)O)CCC(C)(C)C[C@H]5C4=CCC32)O)C1(C)C)O
Computed Properties
- Exact Mass: 1456.6722005g/mol
- Monoisotopic Mass: 1456.6722005g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 19
- Hydrogen Bond Acceptor Count: 34
- Heavy Atom Count: 101
- Rotatable Bond Count: 17
- Complexity: 2900
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 37
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.865
- Topological Polar Surface Area: 531?2
Aster saponin A Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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