Ristomycin A
AlkaPlorer ID: AK312570
Synonym: Ristocetin A, Ristocetin, Ristomycin III, Spontin, Riston
IUPAC Name: methyl 22-amino-2-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-64-[3-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-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-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)C3OC3OC(CO)C(O)C(O)C3OC3OC(CO)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/C95H110N8O44/c1-30-47(110)18-37-20-48(30)138-49-19-35(9-16-46(49)109)59(97)84(125)102-64-68(113)33-5-11-40(12-6-33)136-51-21-38-22-52(81(51)145-95-83(76(121)72(117)56(143-95)29-133-91-78(123)73(118)67(112)32(3)135-91)147-94-82(75(120)70(115)54(27-105)142-94)146-93-77(122)71(116)55(28-106)141-93)137-41-13-7-34(8-14-41)80(144-57-25-44(96)66(111)31(2)134-57)65-89(130)101-63(90(131)132-4)43-23-39(107)24-50(139-92-79(124)74(119)69(114)53(26-104)140-92)58(43)42-17-36(10-15-45(42)108)60(85(126)103-65)98-87(128)62(38)99-86(127)61(37)100-88(64)129/h5-24,31-32,44,53-57,59-80,82-83,91-95,104-124H,25-29,96-97H2,1-4H3,(H,98,128)(H,99,127)(H,100,129)(H,101,130)(H,102,125)(H,103,126)
InChIKey: VTVYZCLFQHBCNS-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: 2067.9370000000013
TPSA？: 837.1600000000005
MolLogP？: -1.459579999999989
Number of H-Donors: 29
Number of H-Acceptors: 46
RingCount: 19
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|