None
AlkaPlorer ID: AK318542
Synonym: None
IUPAC Name: 2-[[(4R)-4-[(3S,5R,8R,9S,10R,12R,13S,14S,17S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
Structure
SMILES: C[C@H](CCC(O)=NCCS(=O)(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@H]3C[C@@H](O)[C@]21C
InChI: InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18+,19+,20+,21+,22+,23-,25-,26+/m1/s1
InChIKey: AWDRATDZQPNJFN-HGCRTIQHSA-N
Source
Properties Information
Molecule Weight: 499.71400000000034
TPSA？: 127.42000000000002
MolLogP？: 4.237600000000004
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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