8-methoxy-3-(4-methoxyphenyl)-7-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

C29H34O14 — CID 162949911

About 8-methoxy-3-(4-methoxyphenyl)-7-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

8-methoxy-3-(4-methoxyphenyl)-7-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one (PubChem CID 162949911) has the molecular formula C29H34O14 and a molecular weight of 606.58 g/mol. Its IUPAC name is 8-methoxy-3-(4-methoxyphenyl)-7-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one.

Molecular Properties

• Compound Name: 8-methoxy-3-(4-methoxyphenyl)-7-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
• PubChem CID: 162949911
• Molecular Formula: C29H34O14
• Molecular Weight: 606.58 g/mol
• Exact Mass: 606.19
• IUPAC Name: 8-methoxy-3-(4-methoxyphenyl)-7-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
• SMILES: COc1ccc(-c2coc3c(OC)c(O[C@@H]4O[C@@H](CO[C@@H]5O[C@H](C)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@H](O)[C@@H]4O)ccc3c2=O)cc1
• InChI: InChI=1S/C29H34O14/c1-12-19(30)22(33)24(35)28(41-12)40-11-18-21(32)23(34)25(36)29(43-18)42-17-9-8-15-20(31)16(10-39-26(15)27(17)38-3)13-4-6-14(37-2)7-5-13/h4-10,12,18-19,21-25,28-30,32-36H,11H2,1-3H3/t12-,18+,19+,21+,22-,23+,24+,25+,28-,29-/m1/s1
• InChIKey: QHVILAPISRBLSH-HQTGHUSASA-N
• XLogP: -0.49
• TPSA: 206.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	606.58
LogP ≤ 5	-0.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(4-methoxyphenyl)-7-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one?

The IUPAC name of 8-methoxy-3-(4-methoxyphenyl)-7-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one (CID 162949911) is 8-methoxy-3-(4-methoxyphenyl)-7-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one.

What is the SMILES notation for 8-methoxy-3-(4-methoxyphenyl)-7-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one?

The canonical SMILES for 8-methoxy-3-(4-methoxyphenyl)-7-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one is COc1ccc(-c2coc3c(OC)c(O[C@@H]4O[C@@H](CO[C@@H]5O[C@H](C)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@H](O)[C@@H]4O)ccc3c2=O)cc1.

What is the InChIKey of 8-methoxy-3-(4-methoxyphenyl)-7-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one?

The InChIKey is QHVILAPISRBLSH-HQTGHUSASA-N. The full InChI is InChI=1S/C29H34O14/c1-12-19(30)22(33)24(35)28(41-12)40-11-18-21(32)23(34)25(36)29(43-18)42-17-9-8-15-20(31)16(10-39-26(15)27(17)38-3)13-4-6-14(37-2)7-5-13/h4-10,12,18-19,21-25,28-30,32-36H,11H2,1-3H3/t12-,18+,19+,21+,22-,23+,24+,25+,28-,29-/m1/s1.

What are the key properties of 8-methoxy-3-(4-methoxyphenyl)-7-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one?

8-methoxy-3-(4-methoxyphenyl)-7-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one has a molecular weight of 606.58 g/mol, XLogP of -0.49, 8 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methoxy-3-(4-methoxyphenyl)-7-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one is sourced from PubChem (CID 162949911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).