2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,8-bis[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

C75H62O30 — CID 20764613

About 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,8-bis[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,8-bis[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol (PubChem CID 20764613) has the molecular formula C75H62O30 and a molecular weight of 1443.29 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,8-bis[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.

Molecular Properties

• Compound Name: 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,8-bis[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
• PubChem CID: 20764613
• Molecular Formula: C75H62O30
• Molecular Weight: 1443.29 g/mol
• Exact Mass: 1442.33
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,8-bis[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
• SMILES: Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)c2c(c(C3c4c(O)c(C5c6c(O)cc(O)cc6OC(c6ccc(O)c(O)c6)C5O)c(O)c(C5c6c(O)cc(O)cc6OC(c6ccc(O)c(O)c6)C5O)c4OC(c4ccc(O)c(O)c4)C3O)c1O)OC(c1ccc(O)c(O)c1)C(O)C2
• InChI: InChI=1S/C75H62O30/c76-28-16-42(89)49-46(19-28)101-70(24-2-7-33(80)38(85)12-24)65(97)52(49)56-61(93)31-22-45(92)69(23-1-6-32(79)37(84)11-23)104-74(31)58(62(56)94)55-60-64(96)57(53-50-43(90)17-29(77)20-47(50)102-71(66(53)98)25-3-8-34(81)39(86)13-25)63(95)59(75(60)105-73(68(55)100)27-5-10-36(83)41(88)15-27)54-51-44(91)18-30(78)21-48(51)103-72(67(54)99)26-4-9-35(82)40(87)14-26/h1-21,45,52-55,65-73,76-100H,22H2
• InChIKey: DOUMCKVINGXRFP-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 551.90 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 30
• Rotatable Bonds: 9
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1443.29
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,8-bis[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

The IUPAC name of 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,8-bis[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol (CID 20764613) is 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,8-bis[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.

What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,8-bis[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

The canonical SMILES for 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,8-bis[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol is Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)c2c(c(C3c4c(O)c(C5c6c(O)cc(O)cc6OC(c6ccc(O)c(O)c6)C5O)c(O)c(C5c6c(O)cc(O)cc6OC(c6ccc(O)c(O)c6)C5O)c4OC(c4ccc(O)c(O)c4)C3O)c1O)OC(c1ccc(O)c(O)c1)C(O)C2.

What is the InChIKey of 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,8-bis[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

The InChIKey is DOUMCKVINGXRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H62O30/c76-28-16-42(89)49-46(19-28)101-70(24-2-7-33(80)38(85)12-24)65(97)52(49)56-61(93)31-22-45(92)69(23-1-6-32(79)37(84)11-23)104-74(31)58(62(56)94)55-60-64(96)57(53-50-43(90)17-29(77)20-47(50)102-71(66(53)98)25-3-8-34(81)39(86)13-25)63(95)59(75(60)105-73(68(55)100)27-5-10-36(83)41(88)15-27)54-51-44(91)18-30(78)21-48(51)103-72(67(54)99)26-4-9-35(82)40(87)14-26/h1-21,45,52-55,65-73,76-100H,22H2.

What are the key properties of 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,8-bis[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,8-bis[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol has a molecular weight of 1443.29 g/mol, XLogP of 7.34, 9 rotatable bonds, 25 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,8-bis[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol is sourced from PubChem (CID 20764613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).