(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl (3S,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2R,3R,4R,5S,6R)-6-({[(2
AlkaPlorer ID: AK515877
Synonym: None
IUPAC Name: [(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-3-[(E)-3-phenylprop-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Structure
SMILES: CC(O)=N[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)[C@@H](OC(=O)/C=C/C7=CC=CC=C7)C[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C75H113NO32/c1-32-48(83)60(105-65-58(93)55(90)51(86)39(27-77)100-65)59(94)66(99-32)107-62-56(91)52(87)40(28-78)101-68(62)108-69(95)75-24-23-73(8)35(36(75)25-70(3,4)45(26-75)103-46(82)18-15-34-13-11-10-12-14-34)16-17-43-72(7)21-20-44(71(5,6)42(72)19-22-74(43,73)9)104-63-47(76-33(2)79)54(89)53(88)41(102-63)31-98-67-61(50(85)38(81)30-97-67)106-64-57(92)49(84)37(80)29-96-64/h10-16,18,32,36-45,47-68,77-78,80-81,83-94H,17,19-31H2,1-9H3,(H,76,79)/b18-15+/t32-,36-,37+,38-,39+,40+,41+,42-,43+,44-,45-,47+,48-,49-,50-,51+,52+,53+,54+,55-,56-,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,72-,73+,74+,75+/m0/s1
InChIKey: RSRZXOUHQLUUTL-YYDWDKJHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Enterolobium contortisiliquum | Enterolobium | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1540.7040000000009
TPSA？: 510.4000000000002
MolLogP？: -1.8618999999999868
Number of H-Donors: 17
Number of H-Acceptors: 32
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|