3,16-Dihydroxy-12-oleanen-28-oic acid; (3β,16α)-form, 3-O-[β-D-Xylopyranosyl-(1→2)-β-D-galactopyranosyl-(1→6)-2-acetamido-2-deoxy-β-D-glucopyranoside], 16-O-β-D-glucopyranoside
AlkaPlorer ID: AK296362
Synonym: None
IUPAC Name: 10-[3-acetamido-6-[[4,5-dihydroxy-6-(hydroxymethyl)-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-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Structure
SMILES: CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)C(OC5OC(CO)C(O)C(O)C5O)CC34C)C2(C)C)OC(COC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O
InChI: InChI=1S/C55H89NO23/c1-23(59)56-34-39(65)38(64)29(22-73-48-44(41(67)37(63)28(20-58)75-48)79-46-42(68)35(61)26(60)21-72-46)76-45(34)77-32-12-13-52(6)30(51(32,4)5)11-14-53(7)31(52)10-9-24-25-17-50(2,3)15-16-55(25,49(70)71)33(18-54(24,53)8)78-47-43(69)40(66)36(62)27(19-57)74-47/h9,25-48,57-58,60-69H,10-22H2,1-8H3,(H,56,59)(H,70,71)
InChIKey: XIBNHXMOYBBSEH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Albizia procera | Albizia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1132.3010000000008
TPSA？: 383.00000000000006
MolLogP？: -1.715899999999988
Number of H-Donors: 14
Number of H-Acceptors: 22
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|