[5-hydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

C115H108O61 — CID 162809618

About [5-hydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

[5-hydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate (PubChem CID 162809618) has the molecular formula C115H108O61 and a molecular weight of 2466.07 g/mol. Its IUPAC name is [5-hydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.

Molecular Properties

• Compound Name: [5-hydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
• PubChem CID: 162809618
• Molecular Formula: C115H108O61
• Molecular Weight: 2466.07 g/mol
• Exact Mass: 2464.53
• IUPAC Name: [5-hydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
• SMILES: O=C(OC1C(c2cc(O)c(O)c(O)c2)Oc2cc(OC3OC(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)cc(O)c2C1c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2)c1cc(O)c(O)c(O)c1
• InChI: InChI=1S/C115H108O61/c116-23-62-87(150)94(157)97(160)113(168-62)164-24-63-88(151)95(158)98(161)114(169-63)165-25-64-89(152)96(159)99(162)115(170-64)166-33-15-36(118)65-61(16-33)167-105(31-11-56(138)85(148)57(139)12-31)111(176-112(163)32-13-58(140)86(149)59(141)14-32)79(65)74-45(127)22-44(126)73-78(93(156)104(175-110(73)74)30-9-54(136)84(147)55(137)10-30)72-43(125)21-42(124)71-77(92(155)103(174-109(71)72)29-7-52(134)83(146)53(135)8-29)70-41(123)20-40(122)69-76(91(154)102(173-108(69)70)28-5-50(132)82(145)51(133)6-28)68-39(121)19-38(120)67-75(90(153)101(172-107(67)68)27-3-48(130)81(144)49(131)4-27)66-37(119)18-35(117)34-17-60(142)100(171-106(34)66)26-1-46(128)80(143)47(129)2-26/h1-16,18-22,60,62-64,75-79,87-105,111,113-162H,17,23-25H2
• InChIKey: KQYUWPWUPKWOKN-UHFFFAOYSA-N
• XLogP: 1.13
• TPSA: 1087.87 Ų
• H-Bond Donors: 47
• H-Bond Acceptors: 61
• Rotatable Bonds: 22
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2466.07
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	47
H-Bond Acceptors ≤ 10	61

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 [5-hydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate?

The IUPAC name of [5-hydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate (CID 162809618) is [5-hydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.

What is the SMILES notation for [5-hydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate?

The canonical SMILES for [5-hydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate is O=C(OC1C(c2cc(O)c(O)c(O)c2)Oc2cc(OC3OC(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)cc(O)c2C1c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2)c1cc(O)c(O)c(O)c1.

What is the InChIKey of [5-hydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate?

The InChIKey is KQYUWPWUPKWOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C115H108O61/c116-23-62-87(150)94(157)97(160)113(168-62)164-24-63-88(151)95(158)98(161)114(169-63)165-25-64-89(152)96(159)99(162)115(170-64)166-33-15-36(118)65-61(16-33)167-105(31-11-56(138)85(148)57(139)12-31)111(176-112(163)32-13-58(140)86(149)59(141)14-32)79(65)74-45(127)22-44(126)73-78(93(156)104(175-110(73)74)30-9-54(136)84(147)55(137)10-30)72-43(125)21-42(124)71-77(92(155)103(174-109(71)72)29-7-52(134)83(146)53(135)8-29)70-41(123)20-40(122)69-76(91(154)102(173-108(69)70)28-5-50(132)82(145)51(133)6-28)68-39(121)19-38(120)67-75(90(153)101(172-107(67)68)27-3-48(130)81(144)49(131)4-27)66-37(119)18-35(117)34-17-60(142)100(171-106(34)66)26-1-46(128)80(143)47(129)2-26/h1-16,18-22,60,62-64,75-79,87-105,111,113-162H,17,23-25H2.

What are the key properties of [5-hydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate?

[5-hydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate has a molecular weight of 2466.07 g/mol, XLogP of 1.13, 22 rotatable bonds, 47 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for [5-hydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate is sourced from PubChem (CID 162809618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).