Molecule ID: 10370774

IUPAC Name: (15S,18S,22R)-2,9-dihydroxy-15-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-18-methoxy-6-methyl-17,21-dioxa-6-azahexacyclo[11.10.0.03,11.04,8.015,22.018,22]tricosa-1(13),2,4(8),9,11-pentaene-7,14,20,23-tetrone

Description: The molecule is an organic heterohexacyclic compound isolated from the culture broth of Streptomyces rishiriensis. It is an antibiotic with antibacterial activity. It has a role as a metabolite, an antimicrobial agent and an antibacterial agent. It is an organic heterohexacyclic compound, a gamma-lactone, a trideoxyhexose derivative and a member of phenols. It derives from a L-rhodinose.

SMILES: CO[C@]12CC(=O)O[C@]13C(=O)c1c(cc4cc(O)c5c(c4c1O)CN(C)C5=O)C(=O)[C@]3(O[C@H]1CC[C@H](O)[C@H](C)O1)CO2

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

InChI: InChI=1S/C28H27NO12/c1-11-15(30)4-5-18(39-11)41-26-10-38-27(37-3)8-17(32)40-28(26,27)24(35)21-13(23(26)34)6-12-7-16(31)20-14(19(12)22(21)33)9-29(2)25(20)36/h6-7,11,15,18,30-31,33H,4-5,8-10H2,1-3H3/t11-,15-,18-,26+,27-,28-/m0/s1

Molecular Properties:
- Polar Surface Area: 178.0 Ų
- LogP: 0.9