methyl (1S,2S,18R,19R,22R,34R,37R,40R,52R)-22-amino-32-chloro-2,18,26,31,44,47,49,64-octahydroxy-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2³,⁶.2¹⁴,¹⁷.2¹⁹,³⁴.1⁸,¹².1²³,²⁷.1²⁹,³³.1⁴¹,⁴⁵.0¹⁰,³⁷.0⁴⁶,⁵¹]hexahexacont
AlkaPlorer ID: AK325285
Synonym: None
IUPAC Name: None
Structure
SMILES: COC(=O)[C@@H]1N=C(O)[C@H]2N=C(O)[C@H](N=C(O)[C@@H]3N=C(O)[C@@H]4N=C(O)[C@H](N=C(O)[C@H](N)C5=CC=C(O)C(=C5)OC5=CC(O)=C(Cl)C4=C5)[C@H](O)C4=CC=C(C=C4)OC4=CC3=CC(=C4O)OC3=CC=C(C=C3)[C@@H]2O)C2=CC=C(O)C(=C2)C2=C(O)C=C(O)C=C21
InChI: InChI=1S/C59H48ClN7O19/c1-83-59(82)47-32-18-27(68)19-36(71)41(32)31-14-25(7-12-34(31)69)44-54(77)67-49(58(81)65-47)51(74)23-4-10-29(11-5-23)85-40-17-26-16-39(52(40)75)84-28-8-2-22(3-9-28)50(73)48-57(80)64-46(56(79)63-45(26)55(78)62-44)33-20-30(21-37(72)42(33)60)86-38-15-24(6-13-35(38)70)43(61)53(76)66-48/h2-21,43-51,68-75H,61H2,1H3,(H,62,78)(H,63,79)(H,64,80)(H,65,81)(H,66,76)(H,67,77)/t43-,44-,45-,46-,47-,48-,49+,50-,51+/m1/s1
InChIKey: RXKCHPQFBWGDEU-UYRRIVOBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Simmondsia chinensis | Simmondsia | Simmondsiaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Strychnos pungens | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Carpesium abrotanoides | Carpesium | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1194.5160000000003
TPSA？: 437.39000000000016
MolLogP？: 8.952499999999995
Number of H-Donors: 15
Number of H-Acceptors: 20
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|