3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

C32H38O17 — CID 162960713

About 3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one (PubChem CID 162960713) has the molecular formula C32H38O17 and a molecular weight of 694.64 g/mol. Its IUPAC name is 3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one.

Molecular Properties

• Compound Name: 3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
• PubChem CID: 162960713
• Molecular Formula: C32H38O17
• Molecular Weight: 694.64 g/mol
• Exact Mass: 694.21
• IUPAC Name: 3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
• SMILES: C[C@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@H]4O[C@H](C)[C@H](O)C(O)[C@@H]4O)ccc3c2=O)[C@H](O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C32H38O17/c1-11-19(35)23(39)26(42)31(44-11)46-15-7-8-16-18(9-15)47-27(13-3-5-14(33)6-4-13)28(21(16)37)48-32-29(24(40)20(36)12(2)45-32)49-30-25(41)22(38)17(34)10-43-30/h3-9,11-12,17,19-20,22-26,29-36,38-42H,10H2,1-2H3/t11-,12-,17+,19+,20+,22-,23?,24-,25-,26+,29-,30+,31-,32-/m1/s1
• InChIKey: ZDMFFHYNTZGWCS-PELSKTEESA-N
• XLogP: -1.96
• TPSA: 267.66 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	694.64
LogP ≤ 5	-1.96
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one?

The IUPAC name of 3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one (CID 162960713) is 3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one.

What is the SMILES notation for 3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one?

The canonical SMILES for 3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one is C[C@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@H]4O[C@H](C)[C@H](O)C(O)[C@@H]4O)ccc3c2=O)[C@H](O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O.

What is the InChIKey of 3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one?

The InChIKey is ZDMFFHYNTZGWCS-PELSKTEESA-N. The full InChI is InChI=1S/C32H38O17/c1-11-19(35)23(39)26(42)31(44-11)46-15-7-8-16-18(9-15)47-27(13-3-5-14(33)6-4-13)28(21(16)37)48-32-29(24(40)20(36)12(2)45-32)49-30-25(41)22(38)17(34)10-43-30/h3-9,11-12,17,19-20,22-26,29-36,38-42H,10H2,1-2H3/t11-,12-,17+,19+,20+,22-,23?,24-,25-,26+,29-,30+,31-,32-/m1/s1.

What are the key properties of 3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one?

3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one has a molecular weight of 694.64 g/mol, XLogP of -1.96, 7 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one is sourced from PubChem (CID 162960713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).