None
AlkaPlorer ID: AK319053
Synonym: None
IUPAC Name: [(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] (3R,6'aS,7'R,9'S)-6-bromo-6'a,9'-dihydroxy-9'-methyl-1',2,3',10'-tetraoxospiro[1H-indole-3,8'-4,5,6,7-tetrahydropyrido[1,2-f]pteridine]-7'-carboxylate
Structure
SMILES: C[C@@]1(O)C(=O)N2C3=C(N=C(O)N=C3O)NC[C@@]2(O)[C@H](C(=O)OC2[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]2O)[C@]12C(O)=NC1=CC(Br)=CC=C12
InChI: InChI=1S/C25H26BrN5O13/c1-23(42)21(40)31-9-17(29-22(41)30-18(9)37)27-5-24(31,43)16(25(23)7-3-2-6(26)4-8(7)28-20(25)39)19(38)44-15-13(35)11(33)10(32)12(34)14(15)36/h2-4,10-16,32-36,42-43H,5H2,1H3,(H,28,39)(H3,27,29,30,37,41)/t10?,11-,12-,13-,14+,15?,16-,23+,24+,25+/m0/s1
InChIKey: BYUCWVNHAZPTMA-RKVLXIDFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Babylonia lutosa | Babylonia | Buccinidae | Neogastropoda | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 684.4090000000001
TPSA？: 299.08
MolLogP？: -3.252299999999998
Number of H-Donors: 11
Number of H-Acceptors: 16
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|