(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-4-butoxy-2-carboxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid

C39H66O55S9 — CID 70696219

IUPAC(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-4-butoxy-2-carboxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid
SMILESCCCCO[C@@H]1[C@@H](OS(=O)(=O)O)[C@H](O[C@H]2[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](OC)O[C@@H]2COS(=O)(=O)O)O[C@@H](C(=O)O)[C@H]1O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O[C@@H]3O[C@H](COS(=O)(=O)O)[C@@H](OC)[C@H](OC)[C@H]3OS(=O)(=O)O)[C@H](OC)[C@H]2OC)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O
InChIInChI=1S/C39H66O55S9/c1-7-8-9-76-21-23(27(34(42)43)88-39(30(21)92-101(62,63)64)84-17-14(11-78-96(47,48)49)80-35(75-6)31(93-102(65,66)67)24(17)89-98(53,54)55)86-38-32(94-103(68,69)70)25(90-99(56,57)58)18(15(82-38)12-79-97(50,51)52)83-36-28(74-5)20(73-4)22(26(87-36)33(40)41)85-37-29(91-100(59,60)61)19(72-3)16(71-2)13(81-37)10-77-95(44,45)46/h13-32,35-39H,7-12H2,1-6H3,(H,40,41)(H,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)/t13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25+,26+,27-,28-,29-,30-,31-,32-,35+,36-,37+,38+,39-/m1/s1
InChIKeyUJAOJXCWHOPGQU-VHCXSEMPSA-N
MW1703.51 g/mol
LogP-8.20
Rot. Bonds40

About (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-4-butoxy-2-carboxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid

(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-4-butoxy-2-carboxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid (PubChem CID 70696219) has the molecular formula C39H66O55S9 and a molecular weight of 1703.51 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-4-butoxy-2-carboxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-4-butoxy-2-carboxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid
PubChem CID70696219
Molecular FormulaC39H66O55S9
Molecular Weight1703.51 g/mol
Exact Mass1701.99
IUPAC Name(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-4-butoxy-2-carboxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid
SMILESCCCCO[C@@H]1[C@@H](OS(=O)(=O)O)[C@H](O[C@H]2[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](OC)O[C@@H]2COS(=O)(=O)O)O[C@@H](C(=O)O)[C@H]1O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O[C@@H]3O[C@H](COS(=O)(=O)O)[C@@H](OC)[C@H](OC)[C@H]3OS(=O)(=O)O)[C@H](OC)[C@H]2OC)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O
InChIInChI=1S/C39H66O55S9/c1-7-8-9-76-21-23(27(34(42)43)88-39(30(21)92-101(62,63)64)84-17-14(11-78-96(47,48)49)80-35(75-6)31(93-102(65,66)67)24(17)89-98(53,54)55)86-38-32(94-103(68,69)70)25(90-99(56,57)58)18(15(82-38)12-79-97(50,51)52)83-36-28(74-5)20(73-4)22(26(87-36)33(40)41)85-37-29(91-100(59,60)61)19(72-3)16(71-2)13(81-37)10-77-95(44,45)46/h13-32,35-39H,7-12H2,1-6H3,(H,40,41)(H,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)/t13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25+,26+,27-,28-,29-,30-,31-,32-,35+,36-,37+,38+,39-/m1/s1
InChIKeyUJAOJXCWHOPGQU-VHCXSEMPSA-N
XLogP-8.20
TPSA785.45 Ų
H-Bond Donors11
H-Bond Acceptors44
Rotatable Bonds40
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001703.51
LogP ≤ 5-8.20
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-4-butoxy-2-carboxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid 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

(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-5-ethoxy-4-hydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-6-[(2S,3S,4S,5R,6S)-2-carboxy-6-[(2R,3R,4S,5R,6S)-4,6-dimethoxy-5-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid
CID 71476522
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4-methoxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-methoxy-5-sulfooxyoxane-2-carboxylic acid
CID 91846614
(1R,3R,4S,7R,8R)-7-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R,6R)-6-carboxy-3,4-dimethoxy-5-[(2S,3R,4S,5S,6S)-3,4,5-trimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-8-methoxy-3-[(2R,3R,4R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-2,5-dioxabicyclo[2.2.2]octane-1-carboxylic acid
CID 102377900
(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3S,4S,5R,6S)-6-methoxy-4-(sulfomethyl)-5-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxane-2-carboxylic acid
CID 101483506
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5S,6R)-4-methoxy-6-methyl-5-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-3,4-dimethoxy-5-propan-2-yloxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid
CID 59138409
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-4-acetyloxy-2-carboxy-6-[(2R,3R,4S,5R)-6-hydroxy-2-(hydroxymethyl)-4,5-disulfooxyoxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4-methoxy-5-sulfooxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
CID 91857602
(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-[(2R,3R,4R,5R)-4-sulfooxy-2,5-bis(sulfooxymethyl)oxolan-3-yl]oxyoxane-2-carboxylic acid
CID 11216619
(3S,4S,6R)-4-methoxy-6-[(2S,3R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-methyl-3-(trioxidanylsulfanyloxy)oxane-2-carboxylic acid
CID 91123324
(1S,4R,7S,8S)-7-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5S,6S)-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dipentoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-carboxy-6-ethyl-3,4-dimethoxyoxan-2-yl]oxy-3,4-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3-[(2R,3R,4S,5R,6S)-4,6-dimethoxy-5-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-8-methoxy-2,5-dioxabicyclo[2.2.2]octane-1-carboxylic acid
CID 71477277
6-[6-[2-carboxy-4,5-dimethoxy-6-[6-methoxy-4,5-bis(trioxidanylsulfanyloxy)-2-(trioxidanylsulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-2-(sulfooxymethyl)-4,5-bis(trioxidanylsulfanyloxy)oxan-3-yl]oxy-4,5-dimethoxy-3-[3,4,5-trimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
CID 59229621
(3R,4S,6R)-3-[(2S,4R,5R)-3-amino-5-[(2R,5R,6R)-5-[(2R,5R,6R)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,6R)-6-[(2R,3S,6S)-2-carboxy-4,5-dimethoxy-6-[(3R,4S,6R)-6-methoxy-4-methyl-2-(sulfooxymethyl)-5-(trioxidanylsulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-2-(sulfooxymethyl)-4,5-bis(trioxidanylsulfanyloxy)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid
CID 59010944
3-[5-[6-carboxy-5-[4,5-dihydroxy-3-methyl-6-(sulfooxymethyl)oxan-2-yl]oxy-4-hydroxy-3-sulfooxyoxan-2-yl]oxy-4-hydroxy-3-methyl-6-(sulfooxymethyl)oxan-2-yl]oxy-6-heptoxy-4-hydroxy-5-sulfooxyoxane-2-carboxylic acid
CID 118439779

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-4-butoxy-2-carboxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid?
The IUPAC name of (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-4-butoxy-2-carboxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid (CID 70696219) is (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-4-butoxy-2-carboxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-4-butoxy-2-carboxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid?
The canonical SMILES for (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-4-butoxy-2-carboxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid is CCCCO[C@@H]1[C@@H](OS(=O)(=O)O)[C@H](O[C@H]2[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](OC)O[C@@H]2COS(=O)(=O)O)O[C@@H](C(=O)O)[C@H]1O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O[C@@H]3O[C@H](COS(=O)(=O)O)[C@@H](OC)[C@H](OC)[C@H]3OS(=O)(=O)O)[C@H](OC)[C@H]2OC)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O.
What is the InChIKey of (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-4-butoxy-2-carboxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid?
The InChIKey is UJAOJXCWHOPGQU-VHCXSEMPSA-N. The full InChI is InChI=1S/C39H66O55S9/c1-7-8-9-76-21-23(27(34(42)43)88-39(30(21)92-101(62,63)64)84-17-14(11-78-96(47,48)49)80-35(75-6)31(93-102(65,66)67)24(17)89-98(53,54)55)86-38-32(94-103(68,69)70)25(90-99(56,57)58)18(15(82-38)12-79-97(50,51)52)83-36-28(74-5)20(73-4)22(26(87-36)33(40)41)85-37-29(91-100(59,60)61)19(72-3)16(71-2)13(81-37)10-77-95(44,45)46/h13-32,35-39H,7-12H2,1-6H3,(H,40,41)(H,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)/t13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25+,26+,27-,28-,29-,30-,31-,32-,35+,36-,37+,38+,39-/m1/s1.
What are the key properties of (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-4-butoxy-2-carboxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid?
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-4-butoxy-2-carboxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid has a molecular weight of 1703.51 g/mol, XLogP of -8.20, 40 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-4-butoxy-2-carboxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid is sourced from PubChem (CID 70696219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).