ajugose
public_id
FDB030659
IUPAC 名称
2-[(6-{[6-({6-[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
描述
Ajugose is soluble (in water) and a very weakly acidic compound (based on its pKa). Ajugose can be found in a number of food items such as malabar spinach, wild leek, broccoli, and garlic, which makes ajugose a potential biomarker for the consumption of these food products.
CAS号
异构
OCC1OC(CO)(OC2OC(COC3OC(COC4OC(COC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O
InChI标识符
InChI=1S/C36H62O31/c37-1-8-14(40)20(46)25(51)31(61-8)57-3-10-15(41)21(47)26(52)32(62-10)58-4-11-16(42)22(48)27(53)33(63-11)59-5-12-17(43)23(49)28(54)34(64-12)60-6-13-18(44)24(50)29(55)35(65-13)67-36(7-39)30(56)19(45)9(2-38)66-36/h8-35,37-56H,1-7H2
NCIHJQNXRKJRMJ-UHFFFAOYSA-N
平均分子量
990.327505216
id
30822
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