Molecule ID: 53262320

IUPAC Name: N-[(2S,3R,4R,5S,6R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-[(2S,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[(2S,3R,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexoxy]oxan-3-yl]oxy-4-hydroxy-2-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Description: The molecule is an alpha-L-rhamnoside consisting of D-glucitol having an alpha-L-Rhap-(1->2)-[alpha-L-Rhap-(1->2)-alpha-D-Galp-(1->3)-beta-D-GlcpNAc-(1->4)]-alpha-L-Rhap-(1->2)-alpha-L-Rhap moiety attached at the 1-position and an alpha-L-Rhap residue at the 3-position. It derives from a D-glucitol.

SMILES: CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O[C@H]3[C@H](OC[C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H](O)CO)O[C@@H](C)[C@H](O)[C@H]3O)O[C@H]2C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

SELFIES: [C][C][Branch1][C][O][=N][C@H1][C@H1][Branch2][Branch2][Ring1][O][C@@H1][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Branch2][Branch1][N][O][C@H1][C@H1][Branch2][Ring2][Branch2][O][C][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=C][O][O][C@H1][Ring2][Branch1][C][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Branch1][=N][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O]

InChI: InChI=1S/C50H87NO36/c1-11-22(58)29(65)34(70)45(75-11)83-39(26(62)17(56)7-52)18(57)10-74-48-41(32(68)25(61)14(4)78-48)87-49-43(86-47-36(72)31(67)24(60)13(3)77-47)37(73)38(15(5)79-49)82-44-21(51-16(6)55)40(28(64)20(9-54)80-44)84-50-42(33(69)27(63)19(8-53)81-50)85-46-35(71)30(66)23(59)12(2)76-46/h11-15,17-50,52-54,56-73H,7-10H2,1-6H3,(H,51,55)/t11-,12-,13-,14-,15-,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+/m0/s1

Molecular Properties:
- Polar Surface Area: 583.0 Ų
- LogP: -12.3