35-O-β-6-amino-6-deoxyglucopyranosyl-bacteriohopanetetrol
AlkaPlorer ID: AK049854
Synonym: None
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3R,4R,7R)-7-[(3R,5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxyoctoxy]-6-(aminomethyl)oxane-3,4,5-triol
Structure
SMILES: C[C@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@]21C
InChI: InChI=1S/C41H73NO8/c1-23(9-10-26(43)32(45)27(44)22-49-36-35(48)34(47)33(46)28(21-42)50-36)24-13-18-38(4)25(24)14-19-40(6)30(38)11-12-31-39(5)17-8-16-37(2,3)29(39)15-20-41(31,40)7/h23-36,43-48H,8-22,42H2,1-7H3/t23-,24-,25?,26-,27+,28-,29?,30?,31?,32-,33-,34+,35-,36-,38+,39+,40-,41-/m1/s1
InChIKey: HEUSSFSVKKVAFQ-CSOJNPMQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Synechocystis sp. PCC 6714 | Synechocystis | Merismopediaceae | Synechococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 708.0339999999997
TPSA？: 165.86
MolLogP？: 4.759800000000003
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|