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

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

CAS: 131573-90-5

Formula: C32H38O19

SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

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

InChI: InChI=1S/C32H38O19/c1-10-19(37)23(41)26(44)30(47-10)46-9-17-21(39)24(42)29(51-31-25(43)20(38)15(36)8-45-31)32(49-17)50-28-22(40)18-14(35)6-13(34)7-16(18)48-27(28)11-2-4-12(33)5-3-11/h2-7,10,15,17,19-21,23-26,29-39,41-44H,8-9H2,1H3/t10-,15+,17+,19-,20-,21+

Composition: C (52.89%), H (5.27%), O (41.83%)

Molar Mass: 726.637

Atom Count: 89

Heavy Atom Count: 51

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 14
Exact Mass 726.200729004
Formal Charge 0
FSP3 0.53
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 19
Hydrogen Bond Donor Count 11
InChIKey LLPRITPJQPQXIR-BVDHFOMSSA-N
Lipinski's Rule of Five
Molar Refractivity 164.62
Topological Polar Surface Area 304.21
Polarizability 65.83
Ring Count 6
Rotatable Bond Count 8

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