Cas no 90288-44-1 (b-D-Glucopyranoside, (3b,22a)-26-(b-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]- (9CI))
90288-44-1 structure
Product Name:b-D-Glucopyranoside, (3b,22a)-26-(b-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]- (9CI)
CAS No:90288-44-1
MF:C51H84O22
MW:1049.19947910309
CID:810285
PubChem ID:441891
Update Time:2025-04-19
b-D-Glucopyranoside, (3b,22a)-26-(b-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- furostanol I
- 4)]- (9CI)
- b-D-Glucopyranoside, (3b,22a)-26-(b-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®
- AKOS025311548
- UNII-D0LC3PH24P
- HY-N0799
- beta-D-Glucopyranoside, (3beta,22beta,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1->4))-
- Protodioscin
- PROTODIOSCIN [INCI]
- 90288-44-1
- PROTODIOSCIN [WHO-DD]
- Q-100623
- 3.BETA.,22.ALPHA.,26-TRIHYDROXYFUROST-5-ENE 3-O-.BETA.-CHACOTRIOSIDE 26-O-.BETA.-D-GLUCOPYRANOSIDE
- beta-D-Glucopyranoside, (3beta,22alpha)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))-, (R-(Z))-
- s3830
- CCG-270619
- NS00123326
- (3beta,22R,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->4)]-beta-D-glucopyranoside
- CS-6050
- Saponin C
- CHEBI:8588
- .BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,22.ALPHA.,25R)-26-(.BETA.-D-GLUCOPYRANOSYLOXY)-22-HYDROXYFUROST-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4))-
- AS-75278
- Furostane base-2H + O-Hex, O-Hex-dHex-dHex
- 26-O-.BETA.-D-GLUCOPYRANOSYL-(25R)-FUROST-5-ENE-3.BETA.,22.ALPHA.,26-TRIOL 3-O-.ALPHA.-L-RHAMNOPYRANOSYL-(1-2)-(.ALPHA.-L-RHAMNOPYRANOSYL-(1-4))-.BETA.-D-GLUCOPYRANOSIDE
- 26-O-beta-D-GLUCOPYRANOSYL-(25R)-FUROST-5-ENE-3beta,22alpha,26-TRIOL 3-O-alpha-L-RHAMNOPYRANOSYL-(1-2)-(alpha-L-RHAMNOPYRANOSYL-(1-4))-beta-D-GLUCOPYRANOSIDE
- SCHEMBL786390
- beta-D-GLUCOPYRANOSIDE, (3beta,22alpha,25R)-26-(beta-D-GLUCOPYRANOSYLOXY)-22-HYDROXYFUROST-5-EN-3-YL O-6-DEOXY-alpha-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-alpha-L-MANNOPYRANOSYL-(1->4))-
- D0LC3PH24P
- C08907
- Furost-5-ene-3,22,26-triol 3-chacotrioside-26-glucopyranoside
- MFCD03427682
- 55056-80-9
- 26-o-beta-d-glycopyranosyl-22-hydroxyfurost-5-ene-3beta,26-diol-3-o-beta-diglucorhamnoside; PROTODIOSON; SHENGMATING; PROTODIOSCIN SNAP-N-SHOOT 0.1mg/mL(P); PROTODIOSCIN(P)
- CHEMBL4782480
- Q7251968
- A870289
- PROTODIOSCINE
- EX-A3793
- (3beta,22R,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl alpha-L-rhamnopyranosyl-(1->2)-(alpha-L-rhamnopyranosyl-(1->4))-beta-D-glucopyranoside
- b-D-Glucopyranoside, (3b,22a)-26-(b-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]- (9CI)
-
- Inchi: 1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21+,22+,23+,25+,26-,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-/m1/s1
- InChI Key: LVTJOONKWUXEFR-UEZXSUPNSA-N
- SMILES: O1[C@](CC[C@@H](C)CO[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)([C@@H](C)[C@H]2[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)O
Computed Properties
- Exact Mass: 1048.545
- Monoisotopic Mass: 1048.545
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 13
- Hydrogen Bond Acceptor Count: 22
- Heavy Atom Count: 73
- Rotatable Bond Count: 14
- Complexity: 1900
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 31
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: -1.3
- Topological Polar Surface Area: 346A^2
Experimental Properties
- Density: 1.46
- Refractive Index: 1.631
- PSA: 346.06000
- LogP: -1.97970
b-D-Glucopyranoside, (3b,22a)-26-(b-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]- (9CI) Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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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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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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