(5S,14R,15R,17R,18R,22R,26R)-5-[(diaminomethylidene)ammonio]-20-[(R)-hydroxy(4-hydroxyphenyl)methyl]-14-methyl-6-oxahexacyclo[16.7.1.1⁴,²⁵.1⁷,¹¹.0¹⁰,¹⁵.0²²,²⁶]octacosa-1,3,7,9,11(28),19,25(27)-heptaene-17-sulfonate
AlkaPlorer ID: AK596653
Synonym: None
IUPAC Name: None
Structure
SMILES: C[C@@H]1CCC2=CC3=CC=C2[C@@H]1C[C@@H](S(=O)(=O)[O-])[C@@H]1C=C([C@@H](O)C2=CC=C(O)C=C2)C[C@H]2CCC4=C(C=CC(=C4)[C@@H]([NH+]=C(N)N)O3)[C@H]21
InChI: InChI=1S/C36H41N3O6S/c1-19-2-3-22-16-27-11-13-28(22)30(19)18-32(46(42,43)44)31-17-25(34(41)20-6-9-26(40)10-7-20)15-23-5-4-21-14-24(8-12-29(21)33(23)31)35(45-27)39-36(37)38/h6-14,16-17,19,23,30-35,40-41H,2-5,15,18H2,1H3,(H4,37,38,39)(H,42,43,44)/t19-,23-,30-,31+,32-,33+,34+,35+/m1/s1
InChIKey: ZTYQCILJHQXPGY-KXNKCVDVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 643.806
TPSA？: 172.9
MolLogP？: 3.1331
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|