Totopensamide C
AlkaPlorer ID: AK327066
Synonym: None
IUPAC Name: [5-[(2R,5S,11R,12R)-5-[(2S)-butan-2-yl]-12-[[(2S)-2-[[(2R,3R)-2-[[11-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-9,12-dihydroxy-4,6,8,10-tetramethyl-3-oxotridecanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-11-methyl-3,6,9,13-tetraoxo-1,4,7,10-tetrazacyclotridec-2-yl]-4-chloro-3-hydroxy-2-methylphenyl] hydrogen sulfate
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H](C2=CC(OS(=O)(=O)O)=C(C)C(O)=C2Cl)N=C(O)[C@H](N=C(O)[C@H](C)N=C(O)[C@H](N=C(O)CC(=O)C(C)CC(C)CC(C)C(O)C(C)C(OC2O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]2O)C(C)O)[C@@H](C)O)[C@@H](C)N=C(O)CN=C1O
InChI: InChI=1S/C52H84ClN7O22S/c1-13-21(3)37-48(72)54-18-35(66)55-26(8)38(49(73)60-40(51(75)58-37)30-16-32(82-83(76,77)78)24(6)42(68)36(30)53)59-47(71)27(9)56-50(74)39(28(10)62)57-34(65)17-31(64)22(4)14-20(2)15-23(5)41(67)25(7)45(29(11)63)81-52-44(70)43(69)46(79-12)33(19-61)80-52/h16,20-23,25-29,33,37-41,43-46,52,61-63,67-70H,13-15,17-19H2,1-12H3,(H,54,72)(H,55,66)(H,56,74)(H,57,65)(H,58,75)(H,59,71)(H,60,73)(H,76,77,78)/t20?,21-,22?,23?,25?,26+,27-,28+,29?,33+,37-,38+,39+,40+,41?,43+,44+,45?,46+,52?/m0/s1
InChIKey: SLDMXMFVHHHMOO-WMEDMEPBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces pactum | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1226.7910000000002
TPSA？: 478.1000000000002
MolLogP？: 3.4602200000000067
Number of H-Donors: 15
Number of H-Acceptors: 21
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|