(2S,3'R,3aS,4R,4'R,5'R,6S,6'S,7S,7aR)-6'-[(S)-amino(methoxy)methyl]-4-{[(1R,2R,3S,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6-methoxy-tetrahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol
AlkaPlorer ID: AK116012
Synonym: None
IUPAC Name: (2S,3'R,3aS,4R,4'R,5'R,6S,6'S,7S,7aR)-4-[(1R,2R,3S,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(S)-amino(methoxy)methyl]-6-methoxyspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol
Structure
SMILES: CN[C@H]1C[C@H](N)[C@@H](O)[C@@H](O[C@@H]2O[C@H](OC)[C@@H](O)[C@H]3O[C@]4(O[C@H]23)O[C@H]([C@@H](N)OC)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]1O
InChI: InChI=1S/C20H37N3O13/c1-23-6-4-5(21)7(24)12(8(6)25)32-19-15-13(11(28)18(31-3)33-19)34-20(36-15)16(29)10(27)9(26)14(35-20)17(22)30-2/h5-19,23-29H,4,21-22H2,1-3H3/t5-,6-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17-,18-,19+,20-/m0/s1
InChIKey: SVCCPSYPFRZFPC-KERCXNEUSA-N
Source
Properties Information
Molecule Weight: 527.5240000000002
TPSA？: 250.06
MolLogP？: -6.047399999999993
Number of H-Donors: 9
Number of H-Acceptors: 16
RingCount: 4
Activities Information
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