Cas no 17948-36-6 (Isorhoegenin-glucosid)
Isorhoegenin-glucosid structure
Product Name:Isorhoegenin-glucosid
CAS No:17948-36-6
MF:C26H29NO11
MW:531.508568525314
CID:2048861
PubChem ID:131750861
Update Time:2025-04-21
Isorhoegenin-glucosid Chemical and Physical Properties
Names and Identifiers
-
- Isorhoegenin-glucosid
- CHEBI:191551
- 2-(hydroxymethyl)-6-[(13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaen-24-yl)oxy]oxane-3,4,5-triol
- 17948-36-6
- I+/--D-Glucopyranoside, (6I+/-,8I+/-)-16-methyl-2,3:10,11-bis[methylenebis(oxy)]rheadan-8-yl
- DTXSID101130514
- Alkaloid RC
-
- Inchi： 1S/C26H29NO11/c1-27-5-4-11-6-15-16(34-9-33-15)7-13(11)23-19(27)12-2-3-14-24(35-10-32-14)18(12)25(37-23)38-26-22(31)21(30)20(29)17(8-28)36-26/h2-3,6-7,17,19-23,25-26,28-31H,4-5,8-10H2,1H3
- InChI Key： LOJGKLLTOGPATF-UHFFFAOYSA-N
- SMILES： CN1C2C(OC(C3C2=CC=C2C=3OCO2)OC2C(O)C(O)C(O)C(CO)O2)C2C(=CC3=C(C=2)OCO3)CC1
Computed Properties
- Exact Mass: 531.17406074Da
- Monoisotopic Mass: 531.17406074Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 38
- Rotatable Bond Count: 3
- Complexity: 852
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 149?2
Isorhoegenin-glucosid Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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