ginkgolide-A
Các tên gọi khác (1) :
- Ginkgolide a
Thuốc Gốc
Small Molecule
CAS: 15291-75-5
CTHH: C20H24O9
PTK: 408.3992
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
408.3992
Monoisotopic mass
408.142032366
InChI
InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17-,18+,19-,20-/m1/s1
InChI Key
InChIKey=FPUXKXIZEIDQKW-VKMVSBOZSA-N
IUPAC Name
(1R,3R,6R,7S,8S,10R,11S,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione
Traditional IUPAC Name
(1R,3R,6R,7S,8S,10R,11S,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione
SMILES
C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O
Độ hòa tan
3.05e+00 g/l
logP
0.34
logS
-2.1
pKa (strongest acidic)
11.77
pKa (Strongest Basic)
-4.1
PSA
128.59 Å2
Refractivity
90.17 m3·mol-1
Polarizability
38.35 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
6
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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