12-Oleanene-3,15,16,28-tetrol; (3β,15α,16α)-form, 28-Carboxylic acid, 3-O-[β-D-xylopyranosyl-(1→3)-6-O-acetyl-β-D-glucopyranosyl-(1→6)-[β-D-xylopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranoside], 28-O-[β-D-apiofuranosyl-(1→3)-β-D-xylopyranosyl-(1→2)-β-D-glucopyranosyl] ester
AlkaPlorer ID: AK308581
Synonym: Entadoside B
IUPAC Name: None
Structure
SMILES: CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5OC5OCC(O)C(OC6OCC(O)(CO)C6O)C5O)C(O)C(O)C34C)C2(C)C)OC(COC2OC(COC(C)=O)C(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C1OC1OCC(O)C(O)C1O
InChI: InChI=1S/C72H115NO37/c1-27(76)73-40-52(107-59-47(87)41(81)31(78)20-97-59)44(84)36(24-100-61-50(90)53(45(85)35(104-61)23-96-28(2)77)108-60-48(88)42(82)32(79)21-98-60)103-58(40)105-39-13-14-68(7)37(67(39,5)6)12-15-69(8)38(68)11-10-29-30-18-66(3,4)16-17-72(30,56(92)55(91)70(29,69)9)65(94)110-63-54(46(86)43(83)34(19-74)102-63)109-62-49(89)51(33(80)22-99-62)106-64-57(93)71(95,25-75)26-101-64/h10,30-64,74-75,78-93,95H,11-26H2,1-9H3,(H,73,76)
InChIKey: AXLQFLDCJQRFJM-UHFFFAOYSA-N
Reference
CAS: 1431563-59-5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Entada phaseoloides | Entada | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1586.6820000000016
TPSA？: 586.0600000000003
MolLogP？: -7.348500000000036
Number of H-Donors: 20
Number of H-Acceptors: 37
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|