[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-6-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

C37H30O18 — CID 53359037

About [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-6-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-6-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate (PubChem CID 53359037) has the molecular formula C37H30O18 and a molecular weight of 762.63 g/mol. Its IUPAC name is [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-6-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.

Molecular Properties

• Compound Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-6-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
• PubChem CID: 53359037
• Molecular Formula: C37H30O18
• Molecular Weight: 762.63 g/mol
• Exact Mass: 762.14
• IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-6-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
• SMILES: O=C(O[C@@H]1Cc2c(cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@@H]3O)c2O)O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
• InChI: InChI=1S/C37H30O18/c38-14-7-16(39)27-25(8-14)54-36(12-3-20(43)32(49)21(44)4-12)34(51)29(27)28-17(40)10-24-15(30(28)47)9-26(35(53-24)11-1-18(41)31(48)19(42)2-11)55-37(52)13-5-22(45)33(50)23(46)6-13/h1-8,10,26,29,34-36,38-51H,9H2/t26-,29-,34-,35-,36-/m1/s1
• InChIKey: MTYOYAYKYNGNKH-AZHZSJSFSA-N
• XLogP: 3.39
• TPSA: 327.98 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 18
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	762.63
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	18

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 [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-6-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate?

The IUPAC name of [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-6-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate (CID 53359037) is [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-6-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.

What is the SMILES notation for [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-6-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate?

The canonical SMILES for [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-6-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate is O=C(O[C@@H]1Cc2c(cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@@H]3O)c2O)O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1.

What is the InChIKey of [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-6-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate?

The InChIKey is MTYOYAYKYNGNKH-AZHZSJSFSA-N. The full InChI is InChI=1S/C37H30O18/c38-14-7-16(39)27-25(8-14)54-36(12-3-20(43)32(49)21(44)4-12)34(51)29(27)28-17(40)10-24-15(30(28)47)9-26(35(53-24)11-1-18(41)31(48)19(42)2-11)55-37(52)13-5-22(45)33(50)23(46)6-13/h1-8,10,26,29,34-36,38-51H,9H2/t26-,29-,34-,35-,36-/m1/s1.

What are the key properties of [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-6-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate?

[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-6-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate has a molecular weight of 762.63 g/mol, XLogP of 3.39, 5 rotatable bonds, 14 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-6-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate is sourced from PubChem (CID 53359037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).