(2R,3S,4S,6S)-4-(acetyloxy)-6-{[(3R,4S,5R,6S,7R,9S,11S,12S,14R)-6-{[(2R,3S,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-7-{[(2R,4R,5S,6R)-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: AK133940
Synonym: None
IUPAC Name: [(2R,3S,4S,6S)-4-acetyloxy-6-[[(3R,4S,5R,6S,7R,9S,11S,12S,14R)-6-[(2R,3S,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2R,4R,5S,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]-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)OC(C)=O
InChI: InChI=1S/C49H86N2O17/c1-18-33-47(10,11)42(58)40(57)37(54)24(3)22-48(12,68-35-21-32(51(16)17)38(55)28(7)61-35)43(66-46-39(56)31(50(14)15)20-25(4)60-46)26(5)41(27(6)45(59)63-33)65-36-23-49(13,67-30(9)52)44(29(8)62-36)64-34(53)19-2/h24-29,31-33,35-36,38-44,46,55-58H,18-23H2,1-17H3/t24-,25+,26+,27+,28+,29+,31-,32+,33+,35+,36+,38+,39-,40+,41-,42+,43-,44-,46+,48+,49-/m0/s1
InChIKey: ZTJIVRKEBWZBTM-HXIRPGALSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaseolus coccineus | Phaseolus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 975.224
TPSA？: 238.75
MolLogP？: 3.113500000000012
Number of H-Donors: 4
Number of H-Acceptors: 19
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|