29-(1,2,3,4,5-Pentahydroxypentyl)-29-hopanol; (22S,29R,31R,32R,33S,34S)-form, 35-O-[2-Deoxy-2-[(17-cyclohexylheptadecanoyl)amino]-β-D-mannopyranoside]
AlkaPlorer ID: AK309709
Synonym: None
IUPAC Name: None
Structure
SMILES: CC(C(O)C(O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1NC(=O)CCCCCCCCCCCCCCCCC1CCCCC1)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C
InChI: InChI=1S/C64H115NO11/c1-42(44-32-37-61(4)45(44)33-38-63(6)49(61)30-31-50-62(5)36-25-35-60(2,3)48(62)34-39-64(50,63)7)53(69)57(73)58(74)54(70)46(67)41-75-59-52(56(72)55(71)47(40-66)76-59)65-51(68)29-24-19-17-15-13-11-9-8-10-12-14-16-18-21-26-43-27-22-20-23-28-43/h42-50,52-59,66-67,69-74H,8-41H2,1-7H3,(H,65,68)
InChIKey: DIUZQBWTIBRCBR-UHFFFAOYSA-N
Reference
CAS: 1344738-94-8
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alicyclobacillus acidoterrestris | Alicyclobacillus | Alicyclobacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1074.6199999999983
TPSA？: 209.4
MolLogP？: 10.680799999999994
Number of H-Donors: 9
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|