3,16,21-Trihydroxy-12-oleanen-28-oic acid; (3β,16α,21β)-form, (28→21)-Lactone, 3-O-(2-acetamido-2-deoxy-β-D-glucopyranoside)
AlkaPlorer ID: AK316616
Synonym: Enterolacaciamine
IUPAC Name: None
Structure
SMILES: CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C6CC5(C(=O)O6)C(O)CC34C)C2(C)C)OC(CO)C(O)C1O
InChI: InChI=1S/C38H59NO9/c1-19(41)39-28-30(44)29(43)22(18-40)46-31(28)47-26-12-13-35(6)23(34(26,4)5)11-14-36(7)24(35)10-9-20-21-15-33(2,3)27-17-38(21,32(45)48-27)25(42)16-37(20,36)8/h9,21-31,40,42-44H,10-18H2,1-8H3,(H,39,41)
InChIKey: YHUZSMPBYOKWFL-UHFFFAOYSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Enterolobium cyclocarpum | Enterolobium | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 673.8880000000005
TPSA？: 154.78
MolLogP？: 3.623100000000002
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|