3,23,28-Trihydroxy-30-norlanost-8-en-29-oic acid; (3β,23ξ)-form, 3-(N-Acetyl-β-D-glucosaminide)
AlkaPlorer ID: AK316608
Synonym: Ulososide B
IUPAC Name: 3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(hydroxymethyl)-17-(4-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carboxylic acid
Structure
SMILES: CC(=O)NC1C(OC2CCC3(C)C4=C(CCC3C2(CO)C(=O)O)C2CCC(C(C)CC(O)CC(C)C)C2(C)CC4)OC(CO)C(O)C1O
InChI: InChI=1S/C37H61NO10/c1-19(2)15-22(42)16-20(3)24-8-9-25-23-7-10-28-36(6,26(23)11-13-35(24,25)5)14-12-29(37(28,18-40)34(45)46)48-33-30(38-21(4)41)32(44)31(43)27(17-39)47-33/h19-20,22,24-25,27-33,39-40,42-44H,7-18H2,1-6H3,(H,38,41)(H,45,46)
InChIKey: SLEHGQSLPGOIIZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Ulosa | Dictyonellidae | Bubarida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 679.8920000000003
TPSA？: 186.01
MolLogP？: 3.1448000000000014
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|