Ristomycin A; 2C-Deglycosyl
AlkaPlorer ID: AK312571
Synonym: Ristomycin B, Ristocetin B, Ristomycin IV
IUPAC Name: methyl 22-amino-2-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-18,21,26,31,35,38,44,49,54,56,59-undecahydroxy-30-methyl-47-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-64-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3(66),4,6(65),8,10,12(64),14(63),15,17(62),20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58-heptacosaene-52-carboxylate
Structure
SMILES: COC(=O)C1N=C(O)C2N=C(O)C(N=C(O)C3N=C(O)C4N=C(O)C(N=C(O)C(N)C5=CC=C(O)C(=C5)OC5=CC4=CC(O)=C5C)C(O)C4=CC=C(C=C4)OC4=CC3=CC(=C4OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)OC3=CC=C(C=C3)C2OC2CC(N)C(O)C(C)O2)C2=CC=C(O)C(=C2)C2=C(OC3OC(CO)C(O)C(O)C3O)C=C(O)C=C21
InChI: InChI=1S/C84H92N8O35/c1-28-45(97)18-35-20-46(28)122-47-19-33(9-16-44(47)96)55(86)75(109)91-60-64(100)31-5-11-38(12-6-31)120-49-21-36-22-50(74(49)127-84-72(108)69(105)66(102)52(125-84)27-117-82-70(106)67(103)63(99)30(3)119-82)121-39-13-7-32(8-14-39)73(126-53-25-42(85)62(98)29(2)118-53)61-80(114)90-59(81(115)116-4)41-23-37(94)24-48(123-83-71(107)68(104)65(101)51(26-93)124-83)54(41)40-17-34(10-15-43(40)95)56(76(110)92-61)87-78(112)58(36)88-77(111)57(35)89-79(60)113/h5-24,29-30,42,51-53,55-73,82-84,93-108H,25-27,85-86H2,1-4H3,(H,87,112)(H,88,111)(H,89,113)(H,90,114)(H,91,109)(H,92,110)
InChIKey: YECWLNHQVUKZLG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kibdelosporangium sp. | Kibdelosporangium | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
| None | Nocardia | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1773.681000000001
TPSA？: 699.0900000000005
MolLogP？: 2.252920000000006
Number of H-Donors: 24
Number of H-Acceptors: 37
RingCount: 17
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|