23140-98-9 (2,4-二羟基-7-甲氧基-1,4-苯并恶嗪-3-酮-4-O-β-D-吡喃葡糖苷,2H-1,4-Benzoxazin-3(4H)-one, 4-(beta-D-glucopyranosyloxy)-2-hydroxy-7-methoxy-)

CAS号:
23140-98-9
中文名称:
2,4-二羟基-7-甲氧基-1,4-苯并恶嗪-3-酮-4-O-β-D-吡喃葡糖苷
英文名称:
2H-1,4-Benzoxazin-3(4H)-one, 4-(beta-D-glucopyranosyloxy)-2-hydroxy-7-methoxy-
分子式:
C15H19NO10
分子量:
373.31206536293

2,4-二羟基-7-甲氧基-1,4-苯并恶嗪-3-酮-4-O-β-D-吡喃葡糖苷(23140-98-9)名称与标识符

名称

中文别名:
2,4-二羟基-7-甲氧基-1,4-苯并恶嗪-3-酮-4-O-β-D-吡喃葡糖苷;
英文别名:
DIMBOA-4-O-β-D-glucuronide;4-(β-D-Glucopyranosyloxy)-2-hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one;VSXQVNSWUPWLLC-RLWRILBGSA-N;2H-1,4-Benzoxazin-3(4H)-one, 4-(.beta.-D-glucopyranosyloxy)-2-hydroxy-7-methoxy-;4-(beta-D-Glucopyranosyloxy)-2-hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one;2H-1,4-Benzoxazin-3(4H)-one, 4-(beta-D-glucopyranosyloxy)-2-hydroxy-7-methoxy-;

标识符

InChIKey:
VSXQVNSWUPWLLC-RLWRILBGSA-N
Inchi:
1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-14(22)13(21)16(7)26-15-12(20)11(19)10(18)9(5-17)25-15/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14?,15+/m1/s1
SMILES:
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)ON1C(C(O)OC2C=C(C=CC1=2)OC)=O

2,4-二羟基-7-甲氧基-1,4-苯并恶嗪-3-酮-4-O-β-D-吡喃葡糖苷(23140-98-9)物化性质

计算特性

  • 氢键供体数量 : 5
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 4
  • 重原子数量 : 26
  • 复杂度 : 507
  • 拓扑分子极性表面积 : 158