12-Oleanene-3,15,16,28-tetrol; (3β,15α,16α)-form, 28-Carboxylic acid, 3-O-[β-D-xylopyranosyl-(1→3)-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: AK308597
Synonym: Entadoside A
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(CO)C(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C1OC1OCC(O)C(O)C1O
InChI: InChI=1S/C70H113NO36/c1-26(75)71-38-50(104-57-45(85)39(79)29(76)20-94-57)43(83)34(23-97-59-48(88)51(42(82)33(19-73)99-59)105-58-46(86)40(80)30(77)21-95-58)101-56(38)102-37-12-13-66(6)35(65(37,4)5)11-14-67(7)36(66)10-9-27-28-17-64(2,3)15-16-70(28,54(90)53(89)68(27,67)8)63(92)107-61-52(44(84)41(81)32(18-72)100-61)106-60-47(87)49(31(78)22-96-60)103-62-55(91)69(93,24-74)25-98-62/h9,28-62,72-74,76-91,93H,10-25H2,1-8H3,(H,71,75)
InChIKey: HXQWIAKGPIZXEP-UHFFFAOYSA-N
Reference
CAS: 1431563-56-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Entada phaseoloides | Entada | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1544.6450000000018
TPSA？: 579.9900000000002
MolLogP？: -7.919300000000036
Number of H-Donors: 21
Number of H-Acceptors: 36
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|