(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-3,4-dihydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C61H102O49 — CID 91849946

IUPAC(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-3,4-dihydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCO[C@H]1[C@@H](O)[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](OC3[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O[C@@H]4CO)O[C@H](CO)[C@H]3O)[C@@H]2O)O[C@@H](C)[C@@H]1O[C@H]1OC[C@H](O[C@H]2OC[C@H](O[C@H]3OC[C@H](O[C@H]4OC[C@H](O[C@H]5OC[C@H](O[C@H]6OC[C@H](O)[C@@H](O)[C@@H]6O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C61H102O49/c1-13-46(50(89-2)45(88)59(96-13)108-48-31(74)17(5-64)99-61(44(48)87)109-49-32(75)16(4-63)98-60(43(49)86)107-47-18(6-65)100-58(42(85)34(47)77)110-57-41(84)33(76)25(68)15(3-62)97-57)106-56-40(83)30(73)23(12-95-56)105-55-39(82)29(72)22(11-94-55)104-54-38(81)28(71)21(10-93-54)103-53-37(80)27(70)20(9-92-53)102-52-36(79)26(69)19(8-91-52)101-51-35(78)24(67)14(66)7-90-51/h13-88H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18+,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31-,32+,33-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46-,47+,48-,49?,50-,51+,52+,53+,54+,55+,56+,57+,58+,59-,60-,61-/m0/s1
InChIKeyHJRQILHVVSTDGY-UVOOQPBUSA-N
MW1619.44 g/mol
LogP-19.46
Rot. Bonds25

About (2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-3,4-dihydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-3,4-dihydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 91849946) has the molecular formula C61H102O49 and a molecular weight of 1619.44 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-3,4-dihydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-3,4-dihydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID91849946
Molecular FormulaC61H102O49
Molecular Weight1619.44 g/mol
Exact Mass1618.55
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-3,4-dihydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCO[C@H]1[C@@H](O)[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](OC3[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O[C@@H]4CO)O[C@H](CO)[C@H]3O)[C@@H]2O)O[C@@H](C)[C@@H]1O[C@H]1OC[C@H](O[C@H]2OC[C@H](O[C@H]3OC[C@H](O[C@H]4OC[C@H](O[C@H]5OC[C@H](O[C@H]6OC[C@H](O)[C@@H](O)[C@@H]6O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C61H102O49/c1-13-46(50(89-2)45(88)59(96-13)108-48-31(74)17(5-64)99-61(44(48)87)109-49-32(75)16(4-63)98-60(43(49)86)107-47-18(6-65)100-58(42(85)34(47)77)110-57-41(84)33(76)25(68)15(3-62)97-57)106-56-40(83)30(73)23(12-95-56)105-55-39(82)29(72)22(11-94-55)104-54-38(81)28(71)21(10-93-54)103-53-37(80)27(70)20(9-92-53)102-52-36(79)26(69)19(8-91-52)101-51-35(78)24(67)14(66)7-90-51/h13-88H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18+,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31-,32+,33-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46-,47+,48-,49?,50-,51+,52+,53+,54+,55+,56+,57+,58+,59-,60-,61-/m0/s1
InChIKeyHJRQILHVVSTDGY-UVOOQPBUSA-N
XLogP-19.46
TPSA749.27 Ų
H-Bond Donors27
H-Bond Acceptors49
Rotatable Bonds25
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001619.44
LogP ≤ 5-19.46
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1049

Analyze (2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-3,4-dihydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 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,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4S,5R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4-diol
CID 91856584
2-(hydroxymethyl)-6-[5-hydroxy-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 156615658
(2R,3R,4S,5S,6R)-2-[(3R,4R,5R,6R)-6-[(3R,4R,5R,6R)-4,5-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 14607279
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-5,6-dihydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91849917
(2S,3R,4S,5S,6R)-2-[(3R,4S,5R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 91859624
(3R,4S,5R)-3-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxyoxane-2,4,5-triol
CID 91850248
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 91847238
(3R,4S,5R)-2-[(3R,4R,5R)-4-[(3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 91846111
2-[6-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[6-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[4,5-dihydroxy-6-(4,5,6-trihydroxyoxan-3-yl)oxyoxan-3-yl]oxy-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 163037106
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 91845027
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[(3R,4R,5R,6S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxyoxan-3-yl]oxy-5-hydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 91859413
(2S,3R,4S,5R,6S)-5-[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxane-2,3,4-triol
CID 124904131

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-3,4-dihydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-3,4-dihydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 91849946) is (2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-3,4-dihydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-3,4-dihydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-3,4-dihydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is CO[C@H]1[C@@H](O)[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](OC3[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O[C@@H]4CO)O[C@H](CO)[C@H]3O)[C@@H]2O)O[C@@H](C)[C@@H]1O[C@H]1OC[C@H](O[C@H]2OC[C@H](O[C@H]3OC[C@H](O[C@H]4OC[C@H](O[C@H]5OC[C@H](O[C@H]6OC[C@H](O)[C@@H](O)[C@@H]6O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-3,4-dihydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is HJRQILHVVSTDGY-UVOOQPBUSA-N. The full InChI is InChI=1S/C61H102O49/c1-13-46(50(89-2)45(88)59(96-13)108-48-31(74)17(5-64)99-61(44(48)87)109-49-32(75)16(4-63)98-60(43(49)86)107-47-18(6-65)100-58(42(85)34(47)77)110-57-41(84)33(76)25(68)15(3-62)97-57)106-56-40(83)30(73)23(12-95-56)105-55-39(82)29(72)22(11-94-55)104-54-38(81)28(71)21(10-93-54)103-53-37(80)27(70)20(9-92-53)102-52-36(79)26(69)19(8-91-52)101-51-35(78)24(67)14(66)7-90-51/h13-88H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18+,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31-,32+,33-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46-,47+,48-,49?,50-,51+,52+,53+,54+,55+,56+,57+,58+,59-,60-,61-/m0/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-3,4-dihydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-3,4-dihydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 1619.44 g/mol, XLogP of -19.46, 25 rotatable bonds, 27 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S)-3,4-dihydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 91849946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).