863919-29-3
AlkaPlorer ID: AK073972
Synonym: 'minutoside b', '(-)-minutoside b'
IUPAC Name: 2-[[(E,2S,3R,6R)-2,3-dimethyl-6-[(3S,5S,6S,8S,9R,10S,13R,14S,15R,17R)-6,8,15-trihydroxy-10,13-dimethyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]hept-4-enoyl]amino]ethanesulfonic acid
Structure
SMILES: C[C@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C[C@@H]3[C@@H](O)C[C@]12O)[C@H](C)C(=O)NCCS(=O)(=O)O
InChI: InChI=1S/C35H59NO12S/c1-18(20(3)31(42)36-12-13-49(44,45)46)6-7-19(2)22-15-24(37)30-34(22,5)11-9-27-33(4)10-8-21(14-23(33)25(38)16-35(27,30)43)48-32-29(41)28(40)26(39)17-47-32/h6-7,18-30,32,37-41,43H,8-17H2,1-5H3,(H,36,42)(H,44,45,46)/b7-6+/t18-,19-,20+,21+,22-,23-,24-,25+,26-,27-,28+,29-,30-,32+,33+,34-,35+/m1/s1
InChIKey: ZNIBBCNKCIEYFM-AFMYHDACSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anasterias antarctica | Anasterias | Asteriidae | Forcipulatida | Asteroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 717.9190000000002
TPSA？: 223.31
MolLogP？: 0.994500000000004
Number of H-Donors: 8
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|