UNPD113830
AlkaPlorer ID: AK514664
Synonym: None
IUPAC Name: [3-[[1-[(2S,3aR,5S,6S,7aS)-2-[2-[1-(diaminomethylidene)-2,5-dihydropyrrol-1-ium-3-yl]ethylcarbamoyl]-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methoxy-3-oxopropyl] sulfate
Structure
SMILES: COC(COS(=O)(=O)[O-])C(=O)NC(C(=O)N1[C@H](C(=O)NCCC2=CC[N+](=C(N)N)C2)C[C@@H]2C[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]21)C(C)C
InChI: InChI=1S/C31H52N6O15S/c1-14(2)23(35-28(44)22(49-3)13-50-53(46,47)48)29(45)37-17-10-20(51-30-26(42)25(41)24(40)21(12-38)52-30)19(39)9-16(17)8-18(37)27(43)34-6-4-15-5-7-36(11-15)31(32)33/h5,14,16-26,30,38-42H,4,6-13H2,1-3H3,(H6,32,33,34,35,43,44,46,47,48)/t16-,17+,18+,19+,20+,21-,22?,23?,24-,25+,26-,30+/m1/s1
InChIKey: RPYXLWOZBBICPU-OYUHKIGZSA-N
Reference
PubChem CID: 21580269
Source
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Properties Information
Molecule Weight: 780.8510000000006
TPSA？: 328.83000000000004
MolLogP？: -5.723300000000005
Number of H-Donors: 9
Number of H-Acceptors: 15
RingCount: 4
Activities Information
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