Cas no 110124-76-0 (β-D-Galactopyranoside, (3β,5α,25R)-spirostan-3-yl 4-O-β-D-glucopyranosyl-)
110124-76-0 structure
Product Name:β-D-Galactopyranoside, (3β,5α,25R)-spirostan-3-yl 4-O-β-D-glucopyranosyl-
CAS No:110124-76-0
MF:C39H64O13
MW:740.917674064636
CID:192597
PubChem ID:3437856
Update Time:2024-03-01
β-D-Galactopyranoside, (3β,5α,25R)-spirostan-3-yl 4-O-β-D-glucopyranosyl- Chemical and Physical Properties
Names and Identifiers
-
- b-D-Galactopyranoside, (3b,5a,25R)-spirostan-3-yl 4-O-b-D-glucopyranosyl-
- (25R)-5α-spirostan-3β-ol 3-O-[O-β-D-glucopyranosyl(1 -> 4)-β-D-galactopyranoside]
- AtroposideC
- Capsicoside B2
- TTS 9
- β-D-Galactopyranoside, (3β,5α,25R)-spirostan-3-yl 4-O-β-D-glucopyranosyl-
- CHEBI:192858
- DTXSID70869343
- 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- Tiqueside
- Spirostan-3-yl 4-O-hexopyranosylhexopyranoside
- 110124-76-0
- (3beta,5alpha,25R)-Spirostan-3-yl 4-O-beta-D-glucopyranosyl-beta-D-galactopyranoside
- DTXSID801151339
-
- Inchi： 1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h18-36,40-46H,5-17H2,1-4H3
- InChI Key： GUSVHVVOABZHAH-UHFFFAOYSA-N
- SMILES： O1C2(CCC(C)CO2)C(C)C2C1CC1C3CCC4CC(CCC4(C)C3CCC12C)OC1C(C(C(C(CO)O1)OC1C(C(C(C(CO)O1)O)O)O)O)O
Computed Properties
- Exact Mass: 740.43469209g/mol
- Monoisotopic Mass: 740.43469209g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 52
- Rotatable Bond Count: 6
- Complexity: 1270
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 22
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 197?2
Experimental Properties
- PSA: 196.99000
- LogP: 1.44220
β-D-Galactopyranoside, (3β,5α,25R)-spirostan-3-yl 4-O-β-D-glucopyranosyl- Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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