Cas no 68406-03-1 (b-D-Glucopyranoside, (3b,25R)-spirost-5-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®4)- (9CI))
68406-03-1 structure
Product Name:b-D-Glucopyranoside, (3b,25R)-spirost-5-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®4)- (9CI)
CAS No:68406-03-1
MF:C57H92O24
MW:1161.3260011673
CID:510938
PubChem ID:3085377
Update Time:2025-04-19
b-D-Glucopyranoside, (3b,25R)-spirost-5-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®4)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- floribundasaponin D
- 3)-O-6-deoxy-a-L-mannopyranosyl-(1®
- 4)- (9CI)
- b-D-Glucopyranoside, (3b,25R)-spirost-5-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®
- 2-[6-[6-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(5'R,6R,7S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
- beta-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-6-dexoy-alpha-L-mannopyranosyl-(1-4)-
- 68406-03-1
- b-D-Glucopyranoside, (3b,25R)-spirost-5-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®4)- (9CI)
-
- Inchi： 1S/C57H92O24/c1-21-11-16-57(70-20-21)22(2)34-32(81-57)18-31-29-10-9-27-17-28(12-14-55(27,7)30(29)13-15-56(31,34)8)75-54-45(69)40(64)49(33(19-58)76-54)80-53-44(68)39(63)48(26(6)74-53)79-52-43(67)38(62)47(25(5)73-52)78-51-42(66)37(61)46(24(4)72-51)77-50-41(65)36(60)35(59)23(3)71-50/h9,21-26,28-54,58-69H,10-20H2,1-8H3/t21-,22+,23?,24?,25?,26?,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-/m1/s1
- InChI Key： BGKCLQRSLIABIL-YQPACFJESA-N
- SMILES： O1[C@]2(CC[C@@H](C)CO2)[C@@H](C)C2C1CC1C3CC=C4CC(CCC4(C)C3CCC12C)OC1C(C(C(C(CO)O1)OC1C(C(C(C(C)O1)OC1C(C(C(C(C)O1)OC1C(C(C(C(C)O1)OC1C(C(C(C(C)O1)O)O)O)O)O)O)O)O)O)O)O
Computed Properties
- Exact Mass: 1160.598
- Monoisotopic Mass: 1160.598
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 12
- Hydrogen Bond Acceptor Count: 24
- Heavy Atom Count: 81
- Rotatable Bond Count: 11
- Complexity: 2200
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 33
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.9
- Topological Polar Surface Area: 354?2
Experimental Properties
- Density: 1.46
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.626
b-D-Glucopyranoside, (3b,25R)-spirost-5-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®4)- (9CI) Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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