16-demethylrifamycin W hemiacetal
AlkaPlorer ID: AK326833
Synonym: None
IUPAC Name: (1S,2Z,16Z,18E,20S,21S,22R,23S,24S,25R,28R,29S)-6,8,21,23,27,28-hexahydroxy-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/[C@@H]2C(O)O[C@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C\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/C34H41NO11/c1-13-9-7-8-10-22(37)35-20-12-21(36)23-24(30(42)16(4)31(43)25(23)32(20)44)27(39)14(2)11-19-29(41)18(6)33(46-34(19)45)17(5)28(40)15(3)26(13)38/h7-13,15,17-19,26,28-29,33-34,38,40-43,45H,1-6H3,(H,35,37)/b9-7+,10-8-,14-11-/t13-,15+,17-,18-,19-,26-,28-,29+,33+,34?/m0/s1
InChIKey: BYHWBALUXLILRL-YVEAHYGRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Micromonospora sp. | Micromonospora | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 639.6980000000003
TPSA？: 214.41
MolLogP？: 2.841120000000001
Number of H-Donors: 7
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|