(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6R)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol

C28H50O14 — CID 91849912

IUPAC(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6R)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol
SMILESCO[C@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3[C@@H](OC)C[C@H](O[C@H]4[C@@H](OC)C[C@H](O)O[C@@H]4C)O[C@@H]3C)C[C@H]2OC)O[C@H](C)[C@H]1O
InChIInChI=1S/C28H50O14/c1-12-22(30)27(35-8)23(31)28(39-12)42-26-15(4)38-21(11-18(26)34-7)41-25-14(3)37-20(10-17(25)33-6)40-24-13(2)36-19(29)9-16(24)32-5/h12-31H,9-11H2,1-8H3/t12-,13-,14-,15-,16+,17+,18-,19-,20+,21+,22-,23-,24-,25-,26-,27-,28+/m1/s1
InChIKeyBEDUNAGLZNORHX-NBSWCHPISA-N
MW610.69 g/mol
LogP0.07
Rot. Bonds10

About (2S,3R,4R,5R,6R)-2-[(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6R)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol

(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6R)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol (PubChem CID 91849912) has the molecular formula C28H50O14 and a molecular weight of 610.69 g/mol. Its IUPAC name is (2S,3R,4R,5R,6R)-2-[(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6R)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6R)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol
PubChem CID91849912
Molecular FormulaC28H50O14
Molecular Weight610.69 g/mol
Exact Mass610.32
IUPAC Name(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6R)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol
SMILESCO[C@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3[C@@H](OC)C[C@H](O[C@H]4[C@@H](OC)C[C@H](O)O[C@@H]4C)O[C@@H]3C)C[C@H]2OC)O[C@H](C)[C@H]1O
InChIInChI=1S/C28H50O14/c1-12-22(30)27(35-8)23(31)28(39-12)42-26-15(4)38-21(11-18(26)34-7)41-25-14(3)37-20(10-17(25)33-6)40-24-13(2)36-19(29)9-16(24)32-5/h12-31H,9-11H2,1-8H3/t12-,13-,14-,15-,16+,17+,18-,19-,20+,21+,22-,23-,24-,25-,26-,27-,28+/m1/s1
InChIKeyBEDUNAGLZNORHX-NBSWCHPISA-N
XLogP0.07
TPSA162.22 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.69
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze (2S,3R,4R,5R,6R)-2-[(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6R)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol 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

(4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-ol
CID 91859049
(4R,5S,6S)-5-[(2S,4R,5S,6S)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-ol
CID 91852368
(4R,5S,6S)-5-[(2S,4R,5S,6S)-5-[(2R,4R,5S,6S)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-ol
CID 91846452
(4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-ol
CID 91851289
(4S,5R,6R)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-ol
CID 91852058
(2S,4R,5R,6R)-5-[(2R,4R,5R,6R)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-ol
CID 102031977
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-5-hydroxy-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6R)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91847233
(4S,5S,6R)-5-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol
CID 91858311
(4S,5S,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol
CID 91853555
(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-ol
CID 162926783
(2S,3S,4R,5S,6R)-4-methoxy-2-methyl-6-[[(1S,2S,4R,6R)-2-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]oxy]oxane-3,5-diol
CID 162905510
[5-hydroxy-4-methoxy-2-[4-methoxy-6-[4-methoxy-6-(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxan-3-yl] acetate
CID 163025863

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6R)-2-[(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6R)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol?
The IUPAC name of (2S,3R,4R,5R,6R)-2-[(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6R)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol (CID 91849912) is (2S,3R,4R,5R,6R)-2-[(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6R)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol.
What is the SMILES notation for (2S,3R,4R,5R,6R)-2-[(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6R)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol?
The canonical SMILES for (2S,3R,4R,5R,6R)-2-[(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6R)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol is CO[C@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3[C@@H](OC)C[C@H](O[C@H]4[C@@H](OC)C[C@H](O)O[C@@H]4C)O[C@@H]3C)C[C@H]2OC)O[C@H](C)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5R,6R)-2-[(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6R)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol?
The InChIKey is BEDUNAGLZNORHX-NBSWCHPISA-N. The full InChI is InChI=1S/C28H50O14/c1-12-22(30)27(35-8)23(31)28(39-12)42-26-15(4)38-21(11-18(26)34-7)41-25-14(3)37-20(10-17(25)33-6)40-24-13(2)36-19(29)9-16(24)32-5/h12-31H,9-11H2,1-8H3/t12-,13-,14-,15-,16+,17+,18-,19-,20+,21+,22-,23-,24-,25-,26-,27-,28+/m1/s1.
What are the key properties of (2S,3R,4R,5R,6R)-2-[(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6R)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol?
(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6R)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol has a molecular weight of 610.69 g/mol, XLogP of 0.07, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6R)-2-[(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6R)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol is sourced from PubChem (CID 91849912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).