(2R,3S)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

C31H28O14 — CID 171124187

About (2R,3S)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

(2R,3S)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol (PubChem CID 171124187) has the molecular formula C31H28O14 and a molecular weight of 624.55 g/mol. Its IUPAC name is (2R,3S)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.

Molecular Properties

• Compound Name: (2R,3S)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
• PubChem CID: 171124187
• Molecular Formula: C31H28O14
• Molecular Weight: 624.55 g/mol
• Exact Mass: 624.15
• IUPAC Name: (2R,3S)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
• SMILES: COc1c(O)cc([C@H]2Oc3c(c(O)cc(O)c3[C@@H]3c4c(O)cc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@@H]3O)C[C@@H]2O)cc1O
• InChI: InChI=1S/C31H28O14/c1-43-31-19(38)4-10(5-20(31)39)28-21(40)8-13-14(33)9-16(35)24(30(13)45-28)25-23-15(34)6-12(32)7-22(23)44-29(27(25)42)11-2-17(36)26(41)18(37)3-11/h2-7,9,21,25,27-29,32-42H,8H2,1H3/t21-,25-,27+,28+,29+/m0/s1
• InChIKey: OBBZIYVNMBINSR-CZCPHJQJSA-N
• XLogP: 2.71
• TPSA: 250.22 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	624.55
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	14

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,3S)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

The IUPAC name of (2R,3S)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol (CID 171124187) is (2R,3S)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.

What is the SMILES notation for (2R,3S)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

The canonical SMILES for (2R,3S)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol is COc1c(O)cc([C@H]2Oc3c(c(O)cc(O)c3[C@@H]3c4c(O)cc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@@H]3O)C[C@@H]2O)cc1O.

What is the InChIKey of (2R,3S)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

The InChIKey is OBBZIYVNMBINSR-CZCPHJQJSA-N. The full InChI is InChI=1S/C31H28O14/c1-43-31-19(38)4-10(5-20(31)39)28-21(40)8-13-14(33)9-16(35)24(30(13)45-28)25-23-15(34)6-12(32)7-22(23)44-29(27(25)42)11-2-17(36)26(41)18(37)3-11/h2-7,9,21,25,27-29,32-42H,8H2,1H3/t21-,25-,27+,28+,29+/m0/s1.

What are the key properties of (2R,3S)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

(2R,3S)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol has a molecular weight of 624.55 g/mol, XLogP of 2.71, 4 rotatable bonds, 11 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol is sourced from PubChem (CID 171124187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).