[6-[4-[[5-[4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C59H68O24 — CID 163014348

IUPAC[6-[4-[[5-[4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SMILESCOc1cc(C=CC(=O)OCC2OC(Oc3c(OC)cc(CC4COC(c5cc(OC)c(OC(c6cc(OC)c(O)c(OC)c6)C(O)CO)c(OC)c5)C4CO)cc3OC)C(O)C(O)C2OC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C59H68O24/c1-70-40-18-30(9-13-37(40)62)11-15-49(65)78-29-48-58(81-50(66)16-12-31-10-14-38(63)41(19-31)71-2)52(68)53(69)59(80-48)83-57-44(74-5)20-32(21-45(57)75-6)17-35-28-79-54(36(35)26-60)33-24-46(76-7)56(47(25-33)77-8)82-55(39(64)27-61)34-22-42(72-3)51(67)43(23-34)73-4/h9-16,18-25,35-36,39,48,52-55,58-64,67-69H,17,26-29H2,1-8H3
InChIKeyNBVFZDCKZUKQGQ-UHFFFAOYSA-N
MW1161.17 g/mol
LogP4.59
Rot. Bonds26

About [6-[4-[[5-[4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

[6-[4-[[5-[4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (PubChem CID 163014348) has the molecular formula C59H68O24 and a molecular weight of 1161.17 g/mol. Its IUPAC name is [6-[4-[[5-[4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[6-[4-[[5-[4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
PubChem CID163014348
Molecular FormulaC59H68O24
Molecular Weight1161.17 g/mol
Exact Mass1160.41
IUPAC Name[6-[4-[[5-[4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SMILESCOc1cc(C=CC(=O)OCC2OC(Oc3c(OC)cc(CC4COC(c5cc(OC)c(OC(c6cc(OC)c(O)c(OC)c6)C(O)CO)c(OC)c5)C4CO)cc3OC)C(O)C(O)C2OC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C59H68O24/c1-70-40-18-30(9-13-37(40)62)11-15-49(65)78-29-48-58(81-50(66)16-12-31-10-14-38(63)41(19-31)71-2)52(68)53(69)59(80-48)83-57-44(74-5)20-32(21-45(57)75-6)17-35-28-79-54(36(35)26-60)33-24-46(76-7)56(47(25-33)77-8)82-55(39(64)27-61)34-22-42(72-3)51(67)43(23-34)73-4/h9-16,18-25,35-36,39,48,52-55,58-64,67-69H,17,26-29H2,1-8H3
InChIKeyNBVFZDCKZUKQGQ-UHFFFAOYSA-N
XLogP4.59
TPSA325.20 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001161.17
LogP ≤ 54.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [6-[4-[[5-[4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 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

[4,5-dihydroxy-6-[4-[[5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 162893961
[4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-6-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 162899562
[(2R,3S,4S,5R,6S)-6-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 163031342
(2S,3R,4S,5S,6R)-2-[4-[[(3S,4S,5R)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102322385
(2R,3S,4R,5R,6S)-2-[4-[(2R,3R,4S)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124905342
[(2R,3S,4S)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 11497321
(2R,3R,4S,5S,6R)-2-[[(2S,3S,4S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101157680
[(3S,4R,5R)-5-[[(2R,3S,4S,5R,6S)-6-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxolan-3-yl]methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 162874827
(2S,3S,4S,5R,6R)-6-[4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenoxy]oxane-2,3,4,5-tetrol
CID 86575628
4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyphenol
CID 14655034
[(3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 25245871
[3,4-dihydroxy-5-(2,3,5-trihydroxyoxan-4-yl)oxyoxolan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 163147559

Frequently Asked Questions

What is the IUPAC name of [6-[4-[[5-[4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The IUPAC name of [6-[4-[[5-[4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CID 163014348) is [6-[4-[[5-[4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [6-[4-[[5-[4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [6-[4-[[5-[4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is COc1cc(C=CC(=O)OCC2OC(Oc3c(OC)cc(CC4COC(c5cc(OC)c(OC(c6cc(OC)c(O)c(OC)c6)C(O)CO)c(OC)c5)C4CO)cc3OC)C(O)C(O)C2OC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of [6-[4-[[5-[4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The InChIKey is NBVFZDCKZUKQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H68O24/c1-70-40-18-30(9-13-37(40)62)11-15-49(65)78-29-48-58(81-50(66)16-12-31-10-14-38(63)41(19-31)71-2)52(68)53(69)59(80-48)83-57-44(74-5)20-32(21-45(57)75-6)17-35-28-79-54(36(35)26-60)33-24-46(76-7)56(47(25-33)77-8)82-55(39(64)27-61)34-22-42(72-3)51(67)43(23-34)73-4/h9-16,18-25,35-36,39,48,52-55,58-64,67-69H,17,26-29H2,1-8H3.
What are the key properties of [6-[4-[[5-[4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
[6-[4-[[5-[4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate has a molecular weight of 1161.17 g/mol, XLogP of 4.59, 26 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-[[5-[4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 163014348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).