(2S,3S,4S,6S)-6-{[(3S,4S,5R,6R,7S,9R,11R,12S,14S)-6-{[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-7-{[(2R,4S,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-11,12-dihydroxy-3,5,7,9,13,13-hexamethyl-2,10-dioxo-1-oxac
AlkaPlorer ID: AK095731
Synonym: None
IUPAC Name: [(2S,3S,4S,6S)-6-[[(3S,4S,5R,6R,7S,9R,11R,12S,14S)-6-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2R,4S,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-11,12-dihydroxy-3,5,7,9,13,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl] propanoate
Structure
SMILES: CCC(=O)O[C@H]1[C@H](C)O[C@H](O[C@H]2[C@@H](C)[C@@H](O[C@H]3O[C@@H](C)C[C@@H](N(C)C)[C@@H]3O)[C@@](C)(O[C@@H]3C[C@H](N(C)C)[C@@H](O)[C@@H](C)O3)C[C@@H](C)C(=O)[C@H](O)[C@@H](O)C(C)(C)[C@H](CC)OC(=O)[C@H]2C)C[C@]1(C)O
InChI: InChI=1S/C47H84N2O16/c1-17-31-45(9,10)40(55)38(54)35(51)23(3)21-47(12,65-33-20-30(49(15)16)36(52)27(7)59-33)41(64-44-37(53)29(48(13)14)19-24(4)58-44)25(5)39(26(6)43(56)61-31)63-34-22-46(11,57)42(28(8)60-34)62-32(50)18-2/h23-31,33-34,36-42,44,52-55,57H,17-22H2,1-16H3/t23-,24+,25-,26+,27-,28+,29-,30+,31+,33-,34-,36+,37+,38+,39+,40-,41-,42+,44-,46+,47+/m1/s1
InChIKey: YMCXDRDWSJHHGE-NPLAKZGISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaseolus coccineus | Phaseolus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 933.187
TPSA？: 232.67999999999995
MolLogP？: 2.54270000000001
Number of H-Donors: 5
Number of H-Acceptors: 18
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|