Bionectriol A
HIT212525915
sdf文件结构编辑类似物检索
HIT ID: HIT212525915
Cas No: 1201896-30-1
分子式: C40H70O14
分子量: 774.986
常用名: Bionectriol A
氢键受体数 (HBA): 13
氢键供体数 (HBD): 10
LogP: 2.076
IUPAC: 2,3,4,5-tetrahydroxypentyl (2E,6E,10E,14E)-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}icosa-2,6,10,14-tetraenoate
IUPAC: 2,3,4,5-tetrahydroxypentyl (2E,6E,10E,14E)-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}icosa-2,6,10,14-tetraenoate
SMILES: CCC(C)CC(C)\C=C(/C)C(OC1OC(CO)C(O)C(O)C1O)C(C)\C=C(/C)C(O)C(C)\C=C(/C)C(O)C(C)\C=C(/C)C(=O)OCC(O)C(O)C(O)CO
SMILES: CCC(C)CC(C)\C=C(/C)C(OC1OC(CO)C(O)C(O)C1O)C(C)\C=C(/C)C(O)C(C)\C=C(/C)C(O)C(C)\C=C(/C)C(=O)OCC(O)C(O)C(O)CO
InChI key: GCBOFAMJKLBCMW-JOZFWXNKSA-N
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