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

C28H32O16 — CID 162818462

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

5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxan-2-yl]oxychromen-4-one (PubChem CID 162818462) has the molecular formula C28H32O16 and a molecular weight of 624.55 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxan-2-yl]oxychromen-4-one.

Molecular Properties

• Compound Name: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxan-2-yl]oxychromen-4-one
• PubChem CID: 162818462
• Molecular Formula: C28H32O16
• Molecular Weight: 624.55 g/mol
• Exact Mass: 624.17
• IUPAC Name: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxan-2-yl]oxychromen-4-one
• SMILES: COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(OCC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)ccc1O
• InChI: InChI=1S/C28H32O16/c1-39-16-4-10(2-3-12(16)30)15-7-14(32)20-13(31)5-11(6-17(20)42-15)41-28-26(38)24(36)25(37)27(44-28)40-9-19-22(34)23(35)21(33)18(8-29)43-19/h2-7,18-19,21-31,33-38H,8-9H2,1H3
• InChIKey: ALRZLASBURZLFK-UHFFFAOYSA-N
• XLogP: -2.12
• TPSA: 258.43 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	624.55
LogP ≤ 5	-2.12
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxan-2-yl]oxychromen-4-one (CID 162818462) is 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxan-2-yl]oxychromen-4-one.

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

The canonical SMILES for 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxan-2-yl]oxychromen-4-one is COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(OCC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)ccc1O.

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

The InChIKey is ALRZLASBURZLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O16/c1-39-16-4-10(2-3-12(16)30)15-7-14(32)20-13(31)5-11(6-17(20)42-15)41-28-26(38)24(36)25(37)27(44-28)40-9-19-22(34)23(35)21(33)18(8-29)43-19/h2-7,18-19,21-31,33-38H,8-9H2,1H3.

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

5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxan-2-yl]oxychromen-4-one has a molecular weight of 624.55 g/mol, XLogP of -2.12, 8 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxan-2-yl]oxychromen-4-one is sourced from PubChem (CID 162818462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).