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156042-22-7 | β-D-Glucopyranoside, (3β,12β,23E)-20-(β-D-glucopyranosyloxy)-12,25-dihydroxydammar-23-en-3-yl 2-O-β-D-glucopyranosyl-
CAS No: 156042-22-7 Catalog No: AG001OH3 MDL No:
Product Description
Catalog Number:
AG001OH3
Chemical Name:
β-D-Glucopyranoside, (3β,12β,23E)-20-(β-D-glucopyranosyloxy)-12,25-dihydroxydammar-23-en-3-yl 2-O-β-D-glucopyranosyl-
CAS Number:
156042-22-7
IUPAC Name:
2-[4,5-dihydroxy-2-[[12-hydroxy-17-[6-hydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-4-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C48H82O19/c1-43(2,61)13-9-14-48(8,67-41-38(60)35(57)32(54)25(20-50)63-41)22-10-16-47(7)30(22)23(52)18-28-45(5)15-12-29(44(3,4)27(45)11-17-46(28,47)6)65-42-39(36(58)33(55)26(21-51)64-42)66-40-37(59)34(56)31(53)24(19-49)62-40/h9,13,22-42,49-61H,10-12,14-21H2,1-8H3
InChI Key:
IAEZLXLDZBZQPU-UHFFFAOYSA-N
Properties
Complexity:
1720
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
962.545g/mol
Formal Charge:
0
Heavy Atom Count:
67
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
13
Isotope Atom Count:
0
Molecular Weight:
963.165g/mol
Monoisotopic Mass:
962.545g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
318A^2
Undefined Atom Stereocenter Count:
25
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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