bacteriohopanetetrol glucosamine
AlkaPlorer ID: AK083467
Synonym: 'Bacteriohopanetetrol-glucosamine', 'bacteriohopane-32,33,34,35-tetrol 35-beta-D-glucosaminide', 'Tetrahydroxybacteriohopane-glucosamine', '35-O-(beta-D-glucosaminyl) bacteriohopane-32,33,34,35-tetrol'
IUPAC Name: (2S,3R,4R,7R)-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,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]-1-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-2,3,4-triol
Structure
SMILES: C[C@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12
InChI: InChI=1S/C41H73NO8/c1-23(9-10-26(44)33(46)27(45)22-49-36-32(42)35(48)34(47)28(21-43)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: BDUDNTRWKFDSBE-GAXZCFOGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Methylobacterium organophilum | Methylobacterium | Methylobacteriaceae | Hyphomicrobiales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 708.0339999999998
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 |
|---|---|---|---|---|---|
| None | Unchecked | Activity | 172.0 | % | 10.1021/np960611y |
| None | Unchecked | Activity | 188.0 | % | 10.1021/np960611y |