(2S,3R,4R,6S)-3-(acetyloxy)-6-{[(3S,4S,5R,6R,7S,9R,11R,12S,14S)-6-{[(2R,3R,4R,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-7-{[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-11,12-dihydroxy-3,5,7,9,13,13-hexamethyl-2,1
AlkaPlorer ID: AK091636
Synonym: None
IUPAC Name: [(2S,3R,4R,6S)-4-acetyloxy-6-[[(3S,4S,5R,6R,7S,9R,11R,12S,14S)-6-[(2R,3R,4R,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2S,4S,5S,6S)-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]-2,4-dimethyloxan-3-yl] acetate
Structure
SMILES: CC[C@@H]1OC(=O)[C@@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@H](C)O2)[C@@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@@H](N(C)C)[C@H]2O)[C@@](C)(O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)C[C@@H](C)C(=O)[C@H](O)[C@@H](O)C1(C)C
InChI: InChI=1S/C48H84N2O17/c1-18-33-46(10,11)41(57)39(56)36(53)23(2)21-47(12,67-34-20-32(50(16)17)37(54)27(6)60-34)42(65-45-38(55)31(49(14)15)19-24(3)59-45)25(4)40(26(5)44(58)63-33)64-35-22-48(13,66-30(9)52)43(28(7)61-35)62-29(8)51/h23-28,31-35,37-43,45,54-57H,18-22H2,1-17H3/t23-,24-,25-,26+,27+,28+,31-,32+,33+,34+,35-,37-,38-,39+,40+,41-,42-,43-,45-,47+,48-/m1/s1
InChIKey: VFMCQWHSZUWDKN-MGLQBNBWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaseolus coccineus | Phaseolus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 961.197
TPSA？: 238.75
MolLogP？: 2.7234000000000096
Number of H-Donors: 4
Number of H-Acceptors: 19
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|