30-hydroxyrifamycin W hemiacetal
AlkaPlorer ID: AK326751
Synonym: None
IUPAC Name: (2E,16Z,18E,20S,21S,22R,23R,24R,25S,28R,29R)-6,8,21,23,27,28-hexahydroxy-16-(hydroxymethyl)-3,7,20,22,24,29-hexamethyl-26-oxa-14-azatetracyclo[23.2.2.19,13.05,10]triaconta-2,5(10),6,8,12,16,18-heptaene-4,11,15,30-tetrone
Structure
SMILES: C/C1=C\C2C(O)O[C@@H]([C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/CO)C(O)=NC3=CC(=O)C4=C(C1=O)C(O)=C(C)C(O)=C4C3=O)[C@H](C)[C@H]2O
InChI: InChI=1S/C35H43NO12/c1-13-8-7-9-19(12-37)34(46)36-21-11-22(38)23-24(30(43)16(4)31(44)25(23)32(21)45)27(40)14(2)10-20-29(42)18(6)33(48-35(20)47)17(5)28(41)15(3)26(13)39/h7-11,13,15,17-18,20,26,28-29,33,35,37,39,41-44,47H,12H2,1-6H3,(H,36,46)/b8-7+,14-10+,19-9-/t13-,15+,17+,18+,20?,26-,28+,29+,33-,35?/m0/s1
InChIKey: NZERIUXDYBBUIR-XPIOALIXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amycolatopsis mediterranei | Amycolatopsis | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 669.7240000000003
TPSA？: 234.64
MolLogP？: 2.2036200000000004
Number of H-Donors: 8
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|