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(3R,6R)-3,4,5-trihydroxy-6-({2-[(4-methoxyphenoxycarbonyl)({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)amino]acetyl}oxy)oxane-2-carboxylic acid

(3R,6R)-3,4,5-trihydroxy-6-({2-[(4-methoxyphenoxycarbonyl)({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)amino]acetyl}oxy)oxane-2-carboxylic acid

CAS: 875430-26-5

Formula: C35H36N2O13

SMILES: COC1=CC=C(OC(=O)N(CC(=O)O[C@H]2OC([C@H](O)C(O)C2O)C(O)=O)CC2=CC=C(OCCC3=C(C)OC(=N3)C3=CC=CC=C3)C=C2)C=C1

IUPAC: (3R,6R)-3,4,5-trihydroxy-6-[(2-{[(4-methoxyphenoxy)carbonyl]({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)amino}acetyl)oxy]oxane-2-carboxylic acid

InChI: InChI=1S/C35H36N2O13/c1-20-26(36-32(47-20)22-6-4-3-5-7-22)16-17-46-24-10-8-21(9-11-24)18-37(35(44)48-25-14-12-23(45-2)13-15-25)19-27(38)49-34-30(41)28(39)29(40)31(50-34)33(42)43/h3-15,28-31,34,39-41H,16-19H2,1-2H3,(H,42,43)/t28?,29-,30?,31?,34+/m1/s1

Composition: C (60.69%), H (5.24%), N (4.04%), O (30.03%)

Molar Mass: 692.674

Atom Count: 86

Heavy Atom Count: 50

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 5
Exact Mass 692.221739227
Formal Charge 0
FSP3 0.31
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 11
Hydrogen Bond Donor Count 4
InChIKey VLMNHAOSAKQBJM-ZGCFSIIGSA-N
Lipinski's Rule of Five
Molar Refractivity 181.33
Topological Polar Surface Area 207.55
Polarizability 67.91
Ring Count 5
Rotatable Bond Count 15

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