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7-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

7-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

CAS: 156980-60-8

Formula: C33H40O19

SMILES: [H][C@@]1(O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(OC3=C2)C2=CC=C(O)C=C2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

IUPAC: 7-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one

InChI: InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(46-10)51-29-22(40)18-15(36)7-14(8-16(18)49-28(29)12-3-5-13(35)6-4-12)48-33-30(25(43)20(38)11(2)47-33)52-32-27(45)24(42)21(39)17(9-34)50-32/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,

Composition: C (53.51%), H (5.44%), O (41.04%)

Molar Mass: 740.664

Atom Count: 92

Heavy Atom Count: 52

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 15
Exact Mass 740.216379068
Formal Charge 0
FSP3 0.55
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 19
Hydrogen Bond Donor Count 11
InChIKey FFGGWIVHOGEVSP-NWQOLJAQSA-N
Lipinski's Rule of Five
Molar Refractivity 168.76
Topological Polar Surface Area 304.21
Polarizability 67.64
Ring Count 6
Rotatable Bond Count 8

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98% <4 Days 156980-60-8 $235.44-$1,096.91$235.44$405.90$731.53$1,096.91
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