Cas no 882664-78-0 (medicagenic acid 28-O-{beta-D-xylopyranosyl-(1->4)-[beta-D-apiofuranosyl-(1->3)]-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl} ester)
882664-78-0 structure
Product Name:medicagenic acid 28-O-{beta-D-xylopyranosyl-(1->4)-[beta-D-apiofuranosyl-(1->3)]-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl} ester
CAS No:882664-78-0
MF:C52H82O23
MW:1075.19369935989
CID:1996282
Update Time:2025-04-21
medicagenic acid 28-O-{beta-D-xylopyranosyl-(1->4)-[beta-D-apiofuranosyl-(1->3)]-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl} ester Chemical and Physical Properties
Names and Identifiers
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- medicagenic acid 28-O-{beta-D-xylopyranosyl-(1->4)-[beta-D-apiofuranosyl-(1->3)]-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl} ester
- polygalasaponin H
- (-)-Polygalasaponin H
-
- Inchi: 1S/C52H82O23/c1-22-35(72-40-33(60)30(57)26(56)19-68-40)36(73-43-39(63)52(67,20-54)21-69-43)34(61)41(70-22)74-37-32(59)31(58)27(18-53)71-42(37)75-45(66)51-14-12-46(2,3)16-24(51)23-8-9-28-47(4)17-25(55)38(62)50(7,44(64)65)29(47)10-11-49(28,6)48(23,5)13-15-51/h8,22,24-43,53-63,67H,9-21H2,1-7H3,(H,64,65)/t22-,24-,25-,26+,27+,28+,29+,30-,31+,32-,33+,34+,35-,36+,37+,38-,39-,40-,41-,42-,43-,47+,48+,49+,50-,51-,52+/m0/s1
- InChI Key: VUUYDQJIFSHBPY-QRMWPQMKSA-N
- SMILES: C1C(C)(C)CC[C@]2(C(O[C@H]3[C@H](O[C@@H]4O[C@@H](C)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)CO5)[C@H](O[C@H]5[C@H](O)[C@](CO)(O)CO5)[C@H]4O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=O)CC[C@]3([C@]4(C)CC[C@H]5[C@@](C(O)=O)(C)[C@@H](O)[C@@H](O)C[C@@]5([C@H]4CC=C3[C@H]12)C)C
Computed Properties
- Hydrogen Bond Donor Count: 13
- Hydrogen Bond Acceptor Count: 23
- Heavy Atom Count: 75
- XLogP3: 2.459
medicagenic acid 28-O-{beta-D-xylopyranosyl-(1->4)-[beta-D-apiofuranosyl-(1->3)]-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl} ester Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
882664-78-0 (medicagenic acid 28-O-{beta-D-xylopyranosyl-(1->4)-[beta-D-apiofuranosyl-(1->3)]-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl} ester) Related Products
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