Cas no 221695-66-5 (Coagulin R 3-glucoside)
Coagulin R 3-glucoside structure
Product Name:Coagulin R 3-glucoside
CAS No:221695-66-5
MF:C34H48O11
MW:632.738331794739
CID:6647069
PubChem ID:73208739
Update Time:2024-03-02
Coagulin R 3-glucoside Chemical and Physical Properties
Names and Identifiers
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- 16-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-15-hydroxy-10,14,16-trimethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxapentacyclo[13.2.2.01,14.02,11.05,10]nonadec-4-en-9-one
- Coagulin R 3-glucoside
- CHEBI:176259
-
- Inchi： 1S/C34H48O11/c1-16-12-24(44-28(40)17(16)2)32(5)34(41)11-10-33(45-32)21-7-6-18-13-19(42-29-27(39)26(38)25(37)22(15-35)43-29)14-23(36)31(18,4)20(21)8-9-30(33,34)3/h6,19-22,24-27,29,35,37-39,41H,7-15H2,1-5H3
- InChI Key： BVSRDECOTMKNFS-UHFFFAOYSA-N
- SMILES： O1C(C)(C2CC(C)=C(C)C(=O)O2)C2(CCC31C1CC=C4CC(CC(C4(C)C1CCC32C)=O)OC1C(C(C(C(CO)O1)O)O)O)O
Computed Properties
- Exact Mass: 632.31966234g/mol
- Monoisotopic Mass: 632.31966234g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 45
- Rotatable Bond Count: 4
- Complexity: 1360
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 14
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 172?2
Coagulin R 3-glucoside Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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