(2S,3R,4S,5R,6S)-6-[2-carbamoyl-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4-formyl-3,4,5-trihydroxy-5-[[[(E,2R,3R)-3-methyl-6-phenyl-2-(1H-pyrrol-3-ylmethyl)hex-5-enyl]amino]methyl]oxane-2-carboxylic acid
AlkaPlorer ID: AK089665
Synonym: None
IUPAC Name: (2S,3R,4S,5R,6S)-6-[2-carbamoyl-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4-formyl-3,4,5-trihydroxy-5-[[[(E,2R,3R)-3-methyl-6-phenyl-2-(1H-pyrrol-3-ylmethyl)hex-5-enyl]amino]methyl]oxane-2-carboxylic acid
Structure
SMILES: C[C@H](C/C=C/C1=CC=CC=C1)[C@H](CNC[C@]1(O)[C@H](OC2=CC=C3C(=O)C(C4=CC=C(O)C=C4)=C(C(N)=O)OC3=C2)O[C@H](C(=O)O)[C@@H](O)[C@@]1(O)C=O)CC1=CNC=C1
InChI: InChI=1S/C42H43N3O12/c1-24(6-5-9-25-7-3-2-4-8-25)28(18-26-16-17-44-20-26)21-45-22-41(53)40(57-36(39(51)52)37(49)42(41,54)23-46)55-30-14-15-31-32(19-30)56-35(38(43)50)33(34(31)48)27-10-12-29(47)13-11-27/h2-5,7-17,19-20,23-24,28,36-37,40,44-45,47,49,53-54H,6,18,21-22H2,1H3,(H2,43,50)(H,51,52)/b9-5+/t24-,28+,36+,37-,40-,41+,42+/m1/s1
InChIKey: YLCKGGVYWNOKRJ-BYLKBZQVSA-N
Reference
PubChem CID: 163179187
Source
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Properties Information
Molecule Weight: 781.8150000000004
TPSA？: 254.86999999999992
MolLogP？: 2.9910000000000005
Number of H-Donors: 8
Number of H-Acceptors: 12
RingCount: 6
Activities Information
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