3'-O-alpha-D-Forosaminyl-(+)-griseusin A

AlkaPlorer ID: AK009098

Synonym: '', "3'-O-alpha-D-Forosaminyl-(+)-griseusin A", "3'-O-α-D-Forosaminyl-(+)-griseusin A"

IUPAC Name: [(3'S,4'S,6'S,11S,15S,17S)-3'-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-6'-methyl-2,9,13-trioxospiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-17,2'-oxane]-4'-yl] acetate

Structure

SMILES: CC(=O)O[C@H]1C[C@H](C)O[C@@]2(O[C@H]3CC(=O)O[C@H]3C3=C2C(=O)C2=C(O)C=CC=C2C3=O)[C@H]1O[C@@H]1CC[C@H](N(C)C)[C@@H](C)O1

copy

InChI: InChI=1S/C30H35NO11/c1-13-11-20(38-15(3)32)29(40-22-10-9-17(31(4)5)14(2)37-22)30(41-13)25-24(28-19(42-30)12-21(34)39-28)26(35)16-7-6-8-18(33)23(16)27(25)36/h6-8,13-14,17,19-20,22,28-29,33H,9-12H2,1-5H3/t13-,14+,17-,19-,20-,22+,28+,29-,30-/m0/s1

copy

InChIKey: GBCIKOFDQWOMIP-YVYZCLHYSA-N

copy

Properties Information

Molecule Weight: 585.6060000000002

TPSA: 147.13

MolLogP: 2.0592999999999995

Number of H-Donors: 1

Number of H-Acceptors: 12

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information