3,21-Dihydroxy-12-oleanen-28-oic acid; (3β,21β)-form, 21E-Cinnamoyl, 3-O-[β-D-xylopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→6)-2-acetamido-2-deoxy-β-D-glucopyranoside], 28-O-[β-D-glucopyranosyl-(1→3)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranosyl] ester
AlkaPlorer ID: AK296366
Synonym: Enterolosaponin B
IUPAC Name: [3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[3-acetamido-6-[[4,5-dihydroxy-3-(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-(3-phenylprop-2-enoyloxy)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Structure
SMILES: CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(OC(=O)C=CC6=CC=CC=C6)CC5(C(=O)OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)CCC34C)C2(C)C)OC(COC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O
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)
InChIKey: RSRZXOUHQLUUTL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Enterolobium contortisiliquum | Enterolobium | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1540.704000000001
TPSA？: 506.9100000000002
MolLogP？: -2.7021999999999955
Number of H-Donors: 17
Number of H-Acceptors: 32
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|