AESCULIOSIDE-B;21-O-ANGELOYLPROTOAESCIGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSYL-ACID

SpectraBase Compound ID	61Ze1B5BAWM
InChI	InChI=1S/C53H84O23/c1-9-22(2)44(69)76-42-41(66)53(21-57)24(16-48(42,3)4)23-10-11-28-49(5)14-13-30(50(6,20-56)27(49)12-15-51(28,7)52(23,8)17-29(53)58)72-47-39(74-46-36(64)34(62)32(60)26(19-55)71-46)37(65)38(40(75-47)43(67)68)73-45-35(63)33(61)31(59)25(18-54)70-45/h9-10,24-42,45-47,54-66H,11-21H2,1-8H3,(H,67,68)/b22-9-/t24-,25+,26+,27?,28?,29+,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40+,41-,42-,45-,46-,47-,49-,50+,51+,52+,53-/m0/s1
InChIKey	VCTRQTABKHTJAO-HWZYGORFSA-N Google Search
Mol Weight	1089.2 g/mol
Molecular Formula	C53H84O23
Exact Mass	1088.540339 g/mol

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SpectraBase Spectrum ID	B1C2PSNFY2h
Name	AESCULIOSIDE-B;21-O-ANGELOYLPROTOAESCIGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSYL-ACID
Compound Number	2
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C53H84O23
InChI	InChI=1S/C53H84O23/c1-9-22(2)44(69)76-42-41(66)53(21-57)24(16-48(42,3)4)23-10-11-28-49(5)14-13-30(50(6,20-56)27(49)12-15-51(28,7)52(23,8)17-29(53)58)72-47-39(74-46-36(64)34(62)32(60)26(19-55)71-46)37(65)38(40(75-47)43(67)68)73-45-35(63)33(61)31(59)25(18-54)70-45/h9-10,24-42,45-47,54-66H,11-21H2,1-8H3,(H,67,68)/b22-9-/t24-,25+,26+,27?,28?,29+,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40+,41-,42-,45-,46-,47-,49-,50+,51+,52+,53-/m0/s1
InChIKey	VCTRQTABKHTJAO-HWZYGORFSA-N
Literature Reference Author	Z.ZHANG,K.KOIKE,Z.JIA,T.NIKAIDO,D.GUO,J.ZHENG
Literature Reference Citation	CHEM.PHARM.BULL.,47,1515(1999)
Literature Reference DOI	10.1248/cpb.47.1515
Molecular Weight	1089.236 g/mol
Solvent	C5D5N
Source File Reference	UWLU8359