3-Hydroxy-12-oleanene-28,30-dioic acid; 3β-form, 30-Me ester, 3-O-[β-D-galactopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranoside]
AlkaPlorer ID: AK301691
Synonym: Lotoidoside F
IUPAC Name: 10-[3-acetamido-6-(hydroxymethyl)-4,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2-methoxycarbonyl-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Structure
SMILES: COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6N=C(C)O)C(C)(C)C5CCC43C)C2C1
InChI: InChI=1S/C51H81NO20/c1-23(56)52-32-40(72-43-38(62)36(60)34(58)27(21-54)68-43)39(71-42-37(61)35(59)33(57)26(20-53)67-42)28(22-55)69-41(32)70-31-12-13-48(5)29(46(31,2)3)11-14-50(7)30(48)10-9-24-25-19-47(4,45(65)66-8)15-17-51(25,44(63)64)18-16-49(24,50)6/h9,25-43,53-55,57-62H,10-22H2,1-8H3,(H,52,56)(H,63,64)
InChIKey: PFZOLJHOXSOCLF-UHFFFAOYSA-N
Reference
Antiproliferative Hopane and Oleanane Glycosides from the Roots of<i>Glinus lotoides</i>
PubChem CID: 162999635
LOTUS: LTS0208174
COCONUT: CNP0273295.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Glinus lotoides | Glinus | Molluginaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1028.1960000000006
TPSA？: 333.64000000000004
MolLogP？: 0.8434000000000081
Number of H-Donors: 11
Number of H-Acceptors: 19
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|