12-Oleanene-3,15,16,28-tetrol; (3β,15α,16α)-form, 28-Carboxylic acid, 3-O-[β-D-xylopyranosyl-(1→3)-α-L-arabinopyranosyl-(1→6)-[β-D-glucopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranoside], 28-O-[6R-hydroxy-2,6-dimethyl-2E,7-octadienoyl-(→2)-β-D-glucopyranosyl-(1→4)-[β-D-xylopyranosyl-(1→2)]-6-O-acetyl-β-D-glucopyranosyl] ester
AlkaPlorer ID: AK308594
Synonym: None
IUPAC Name: None
Structure
SMILES: C=CC(C)(O)CCC=C(C)C(=O)OC1C(OC2C(COC(C)=O)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(COC8OCC(O)C(OC9OCC(O)C(O)C9O)C8O)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7NC(C)=O)C(C)(C)C6CCC5(C)C3(C)C(O)C4O)C(OC3OCC(O)C(O)C3O)C2O)OC(CO)C(O)C1O
InChI: InChI=1S/C83H131NO40/c1-13-79(9,108)20-14-15-33(2)68(106)119-64-55(98)52(95)42(27-86)115-74(64)122-63-43(31-109-35(4)88)117-75(65(59(63)102)123-72-57(100)50(93)39(90)29-112-72)124-76(107)83-24-23-77(5,6)25-37(83)36-16-17-46-80(10)21-19-47(78(7,8)45(80)18-22-81(46,11)82(36,12)66(104)67(83)105)118-69-48(84-34(3)87)53(96)62(121-73-58(101)54(97)51(94)41(26-85)114-73)44(116-69)32-113-70-60(103)61(40(91)30-110-70)120-71-56(99)49(92)38(89)28-111-71/h13,15-16,37-67,69-75,85-86,89-105,108H,1,14,17-32H2,2-12H3,(H,84,87)
InChIKey: DHNFSPMQDIHUQN-UHFFFAOYSA-N
Reference
CAS: 1903725-63-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Entada phaseoloides | Entada | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1782.928000000001
TPSA？: 632.5900000000003
MolLogP？: -5.774800000000019
Number of H-Donors: 21
Number of H-Acceptors: 40
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|