6-{[(2E)-3-{4-[(2-aminoacetyl)oxy]phenyl}prop-2-enoyl]oxy}-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid
AlkaPlorer ID: AK123636
Synonym: None
IUPAC Name: (1S,4aS,6S,7R,7aS)-6-[(E)-3-[4-(2-aminoacetyl)oxyphenyl]prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
Structure
SMILES: C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1OC(=O)/C=C/C1=CC=C(OC(=O)CN)C=C1
InChI: InChI=1S/C27H33NO13/c1-12-17(39-19(30)7-4-13-2-5-14(6-3-13)38-20(31)9-28)8-15-16(25(35)36)11-37-26(21(12)15)41-27-24(34)23(33)22(32)18(10-29)40-27/h2-7,11-12,15,17-18,21-24,26-27,29,32-34H,8-10,28H2,1H3,(H,35,36)/b7-4+/t12-,15+,17-,18+,21+,22+,23-,24+,26-,27-/m0/s1
InChIKey: HVJKGSOYHDJBEK-MBVIDQTGSA-N
Source
Properties Information
Molecule Weight: 579.5550000000002
TPSA？: 224.53
MolLogP？: -1.1107999999999958
Number of H-Donors: 6
Number of H-Acceptors: 13
RingCount: 4
Activities Information
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