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

C33H40O20 — CID 73256847

IUPAC2-[4-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-3-yl]oxy-3-hydroxyphenyl]-3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
SMILESCC1OC(Oc2cc(O)c3c(=O)c(O)c(-c4ccc(OC5C(CO)OC(OC6C(C)OC(O)C(O)C6O)C(O)C5O)c(O)c4)oc3c2)C(O)C(O)C1O
InChIInChI=1S/C33H40O20/c1-9-19(37)21(39)26(44)32(48-9)49-12-6-14(36)18-16(7-12)51-29(22(40)20(18)38)11-3-4-15(13(35)5-11)50-30-17(8-34)52-33(27(45)24(30)42)53-28-10(2)47-31(46)25(43)23(28)41/h3-7,9-10,17,19,21,23-28,30-37,39-46H,8H2,1-2H3
InChIKeyRREUTBIFEJAKCA-UHFFFAOYSA-N
MW756.66 g/mol
LogP-3.19
Rot. Bonds8

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

2-[4-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-3-yl]oxy-3-hydroxyphenyl]-3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one (PubChem CID 73256847) has the molecular formula C33H40O20 and a molecular weight of 756.66 g/mol. Its IUPAC name is 2-[4-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-3-yl]oxy-3-hydroxyphenyl]-3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one.

Molecular Properties

Compound Name2-[4-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-3-yl]oxy-3-hydroxyphenyl]-3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
PubChem CID73256847
Molecular FormulaC33H40O20
Molecular Weight756.66 g/mol
Exact Mass756.21
IUPAC Name2-[4-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-3-yl]oxy-3-hydroxyphenyl]-3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
SMILESCC1OC(Oc2cc(O)c3c(=O)c(O)c(-c4ccc(OC5C(CO)OC(OC6C(C)OC(O)C(O)C6O)C(O)C5O)c(O)c4)oc3c2)C(O)C(O)C1O
InChIInChI=1S/C33H40O20/c1-9-19(37)21(39)26(44)32(48-9)49-12-6-14(36)18-16(7-12)51-29(22(40)20(18)38)11-3-4-15(13(35)5-11)50-30-17(8-34)52-33(27(45)24(30)42)53-28-10(2)47-31(46)25(43)23(28)41/h3-7,9-10,17,19,21,23-28,30-37,39-46H,8H2,1-2H3
InChIKeyRREUTBIFEJAKCA-UHFFFAOYSA-N
XLogP-3.19
TPSA328.35 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500756.66
LogP ≤ 5-3.19
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Analyze 2-[4-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-3-yl]oxy-3-hydroxyphenyl]-3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-3,5-dihydroxychromen-4-one
CID 157009883
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-3,5-dihydroxychromen-4-one
CID 176728232
3,5-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 162926946
3,5-dihydroxy-2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 73157268
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 16760089
7-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 163009195
3-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 163042444
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 162960526
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 10327769
7-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 162861049
3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
CID 165366128
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 162970538

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-3-yl]oxy-3-hydroxyphenyl]-3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one?
The IUPAC name of 2-[4-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-3-yl]oxy-3-hydroxyphenyl]-3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one (CID 73256847) is 2-[4-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-3-yl]oxy-3-hydroxyphenyl]-3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one.
What is the SMILES notation for 2-[4-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-3-yl]oxy-3-hydroxyphenyl]-3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one?
The canonical SMILES for 2-[4-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-3-yl]oxy-3-hydroxyphenyl]-3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one is CC1OC(Oc2cc(O)c3c(=O)c(O)c(-c4ccc(OC5C(CO)OC(OC6C(C)OC(O)C(O)C6O)C(O)C5O)c(O)c4)oc3c2)C(O)C(O)C1O.
What is the InChIKey of 2-[4-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-3-yl]oxy-3-hydroxyphenyl]-3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one?
The InChIKey is RREUTBIFEJAKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40O20/c1-9-19(37)21(39)26(44)32(48-9)49-12-6-14(36)18-16(7-12)51-29(22(40)20(18)38)11-3-4-15(13(35)5-11)50-30-17(8-34)52-33(27(45)24(30)42)53-28-10(2)47-31(46)25(43)23(28)41/h3-7,9-10,17,19,21,23-28,30-37,39-46H,8H2,1-2H3.
What are the key properties of 2-[4-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-3-yl]oxy-3-hydroxyphenyl]-3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one?
2-[4-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-3-yl]oxy-3-hydroxyphenyl]-3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one has a molecular weight of 756.66 g/mol, XLogP of -3.19, 8 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-3-yl]oxy-3-hydroxyphenyl]-3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one is sourced from PubChem (CID 73256847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).