5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxan-2-yl]oxychromen-4-one

C34H42O20 — CID 162879365

About 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxan-2-yl]oxychromen-4-one

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxan-2-yl]oxychromen-4-one (PubChem CID 162879365) has the molecular formula C34H42O20 and a molecular weight of 770.69 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxan-2-yl]oxychromen-4-one.

Molecular Properties

• Compound Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxan-2-yl]oxychromen-4-one
• PubChem CID: 162879365
• Molecular Formula: C34H42O20
• Molecular Weight: 770.69 g/mol
• Exact Mass: 770.23
• IUPAC Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxan-2-yl]oxychromen-4-one
• SMILES: COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2(C3(C4OC(CO)C(O)C(O)C4O)OC(C)C(O)C(O)C3O)OC(C)C(O)C(O)C2O)ccc1O
• InChI: InChI=1S/C34H42O20/c1-10-20(39)25(44)30(47)33(52-10,32-27(46)24(43)22(41)18(9-35)51-32)34(31(48)26(45)21(40)11(2)53-34)54-29-23(42)19-15(38)7-13(36)8-17(19)50-28(29)12-4-5-14(37)16(6-12)49-3/h4-8,10-11,18,20-22,24-27,30-32,35-41,43-48H,9H2,1-3H3
• InChIKey: PXYBMHYKIFQNQV-UHFFFAOYSA-N
• XLogP: -3.76
• TPSA: 339.35 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	770.69
LogP ≤ 5	-3.76
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxan-2-yl]oxychromen-4-one?

The IUPAC name of 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxan-2-yl]oxychromen-4-one (CID 162879365) is 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxan-2-yl]oxychromen-4-one.

What is the SMILES notation for 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxan-2-yl]oxychromen-4-one?

The canonical SMILES for 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxan-2-yl]oxychromen-4-one is COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2(C3(C4OC(CO)C(O)C(O)C4O)OC(C)C(O)C(O)C3O)OC(C)C(O)C(O)C2O)ccc1O.

What is the InChIKey of 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxan-2-yl]oxychromen-4-one?

The InChIKey is PXYBMHYKIFQNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42O20/c1-10-20(39)25(44)30(47)33(52-10,32-27(46)24(43)22(41)18(9-35)51-32)34(31(48)26(45)21(40)11(2)53-34)54-29-23(42)19-15(38)7-13(36)8-17(19)50-28(29)12-4-5-14(37)16(6-12)49-3/h4-8,10-11,18,20-22,24-27,30-32,35-41,43-48H,9H2,1-3H3.

What are the key properties of 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxan-2-yl]oxychromen-4-one?

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxan-2-yl]oxychromen-4-one has a molecular weight of 770.69 g/mol, XLogP of -3.76, 7 rotatable bonds, 13 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxan-2-yl]oxychromen-4-one is sourced from PubChem (CID 162879365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).