Molecule ID: 6437361

IUPAC Name: (6R,6aS)-2-[(2S,3R,4R,5S,6S)-3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-4,6-dihydroxy-3-methyl-8-[(E)-prop-1-enyl]-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

Description: The molecule is an aminoglycoside antibiotic produced by Streptosporangium sibiricum that also exhibits antitumour properties. It has a role as a bacterial metabolite and an antineoplastic agent. It is a pyrrolobenzodiazepine, an aminoglycoside antibiotic, a member of phenols and a hemiaminal.

SMILES: C/C=C/C1=CN2C(=O)c3cc(O[C@@H]4O[C@@H](C)[C@H](NC)[C@@](C)(O)[C@H]4O)c(C)c(O)c3N[C@H](O)[C@@H]2C1

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

InChI: InChI=1S/C24H33N3O7/c1-6-7-13-8-15-21(30)26-17-14(22(31)27(15)10-13)9-16(11(2)18(17)28)34-23-20(29)24(4,32)19(25-5)12(3)33-23/h6-7,9-10,12,15,19-21,23,25-26,28-30,32H,8H2,1-5H3/b7-6+/t12-,15-,19-,20-,21+,23-,24+/m0/s1

Molecular Properties:
- Polar Surface Area: 144.0 Ų
- LogP: 0.5