3-[(2R,3S,4R,5R)-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one

C28H32O15 — CID 162874313

About 3-[(2R,3S,4R,5R)-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one

3-[(2R,3S,4R,5R)-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one (PubChem CID 162874313) has the molecular formula C28H32O15 and a molecular weight of 608.55 g/mol. Its IUPAC name is 3-[(2R,3S,4R,5R)-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one.

Molecular Properties

• Compound Name: 3-[(2R,3S,4R,5R)-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one
• PubChem CID: 162874313
• Molecular Formula: C28H32O15
• Molecular Weight: 608.55 g/mol
• Exact Mass: 608.17
• IUPAC Name: 3-[(2R,3S,4R,5R)-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one
• SMILES: COc1cc(O)c2c(=O)c(O[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)c(-c3ccc(O)c(OC)c3)oc2c1
• InChI: InChI=1S/C28H32O15/c1-10-19(32)22(35)23(36)27(40-10)43-26-20(33)15(31)9-39-28(26)42-25-21(34)18-14(30)7-12(37-2)8-17(18)41-24(25)11-4-5-13(29)16(6-11)38-3/h4-8,10,15,19-20,22-23,26-33,35-36H,9H2,1-3H3/t10-,15-,19-,20-,22+,23+,26+,27-,28-/m1/s1
• InChIKey: BMCUPPHTXSJLRI-ARFSRWFBSA-N
• XLogP: -0.44
• TPSA: 227.20 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	608.55
LogP ≤ 5	-0.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 3-[(2R,3S,4R,5R)-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one (CID 162874313) is 3-[(2R,3S,4R,5R)-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one.

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

The canonical SMILES for 3-[(2R,3S,4R,5R)-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one is COc1cc(O)c2c(=O)c(O[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)c(-c3ccc(O)c(OC)c3)oc2c1.

What is the InChIKey of 3-[(2R,3S,4R,5R)-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one?

The InChIKey is BMCUPPHTXSJLRI-ARFSRWFBSA-N. The full InChI is InChI=1S/C28H32O15/c1-10-19(32)22(35)23(36)27(40-10)43-26-20(33)15(31)9-39-28(26)42-25-21(34)18-14(30)7-12(37-2)8-17(18)41-24(25)11-4-5-13(29)16(6-11)38-3/h4-8,10,15,19-20,22-23,26-33,35-36H,9H2,1-3H3/t10-,15-,19-,20-,22+,23+,26+,27-,28-/m1/s1.

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

3-[(2R,3S,4R,5R)-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one has a molecular weight of 608.55 g/mol, XLogP of -0.44, 7 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R,3S,4R,5R)-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one is sourced from PubChem (CID 162874313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).