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6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

CAS: 82854-37-3

Formula: C35H46O20

SMILES: CC1OC(OC2C(O)C(OCCC3=CC(O)=C(O)C=C3)OC(COC3OC(CO)C(O)C(O)C3O)C2OC(=O)C=CC2=CC(O)=C(O)C=C2)C(O)C(O)C1O

IUPAC: 6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

InChI: InChI=1/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3

Composition: C (53.43%), H (5.89%), O (40.67%)

Molar Mass: 786.733

Atom Count: 101

Heavy Atom Count: 55

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 15
Exact Mass 786.258243881
Formal Charge 0
FSP3 0.57
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 19
Hydrogen Bond Donor Count 12
InChIKey FSBUXLDOLNLABB-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 180.82
Topological Polar Surface Area 324.44
Polarizability 72.63
Ring Count 5
Rotatable Bond Count 14

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Purity LeadTime CAS UnitPrice
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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 82854-37-3 Quote Only