(1S,3S,6R,8S,9S,11S,14S,15S,19R,20R)-15-{[(2R,5R,6R)-5-{[(2R,4R,5S,6S)-5-{[(2R,4S,5R,6S)-5-amino-6-methyl-4-{1H,8H-pyrrolo[2,3-b]indole-2-carbonyloxy}oxan-2-yl]oxy}-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-8-ethyl-9-hydroxy-3,6,20-trime
AlkaPlorer ID: AK497561
Synonym: None
IUPAC Name: (1S,3S,6R,8S,9S,11S,14S,15S,19R,20R)-15-[(2R,5R,6R)-5-[(2R,4R,5S,6S)-5-[(2R,4S,5R,6S)-5-amino-4-(3,4-dihydropyrrolo[2,3-b]indole-2-carbonyloxy)-6-methyloxan-2-yl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-8-ethyl-9-hydroxy-3,6,20-trimethyl-21,23-dioxo-24-azapentacyclo[20.2.1.01,6.011,20.014,19]pentacosa-4,12,22(25)-triene-4-carboxylic acid
Structure
SMILES: CC[C@H]1C[C@]2(C)C=C(C(=O)O)[C@@H](C)C[C@]23C=C(C(=O)[C@]2(C)[C@H](C=C[C@@H]4[C@@H](O[C@H]5CC[C@@H](O[C@@H]6C[C@@](C)(O)[C@@H](O[C@@H]7C[C@H](OC(=O)C8=CC9=C(N8)NC8=CC=CC=C89)[C@H](N)[C@H](C)O7)[C@H](C)O6)[C@@H](C)O5)CCC[C@H]42)C[C@@H]1O)C(O)=N3
InChI: InChI=1S/C60H80N4O14/c1-9-33-25-57(6)26-38(55(68)69)29(2)24-60(57)27-39(54(67)64-60)51(66)59(8)34(21-43(33)65)17-18-36-40(59)14-12-16-45(36)76-47-20-19-44(30(3)72-47)75-49-28-58(7,71)52(32(5)74-49)78-48-23-46(50(61)31(4)73-48)77-56(70)42-22-37-35-13-10-11-15-41(35)62-53(37)63-42/h10-11,13,15,17-18,22,26-27,29-34,36,40,43-50,52,62-63,65,71H,9,12,14,16,19-21,23-25,28,61H2,1-8H3,(H,64,67)(H,68,69)/t29-,30+,31-,32-,33-,34+,36-,40+,43-,44+,45-,46-,47-,48+,49+,50+,52-,57+,58+,59+,60-/m0/s1
InChIKey: QCFIWCXGYMCSSA-UVSBRNBSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces rugosporus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1081.314
TPSA？: 266.69999999999993
MolLogP？: 8.254300000000008
Number of H-Donors: 7
Number of H-Acceptors: 14
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|