ginkgolide-M
Thuốc Gốc
Small Molecule
CAS: 15291-78-8
CTHH: C20H24O10
PTK: 424.3986
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H24O10
Phân tử khối
424.3986
Monoisotopic mass
424.136946988
InChI
InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3/t5-,6?,7+,8+,9-,10-,11-,12+,16-,18-,19+,20+/m0/s1
InChI Key
InChIKey=KDKROYXEHCYLJQ-FJFAJXJPSA-N
IUPAC Name
(1S,3R,6R,7S,8S,9R,10S,11R,12R,13R,16S)-8-tert-butyl-6,9,12-trihydroxy-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
(1S,3R,6R,7S,8S,9R,10S,11R,12R,13R,16S)-8-tert-butyl-6,9,12-trihydroxy-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]1C2[C@@H](OC1=O)[C@H](O)[C@]13[C@@H]4OC(=O)[C@]21O[C@@H]1OC(=O)[C@H](O)[C@]31[C@@H]([C@H]4O)C(C)(C)C
Độ hòa tan
7.96e+00 g/l
logP
-0.92
logS
-1.7
pKa (strongest acidic)
12.05
pKa (Strongest Basic)
-3.3
PSA
148.82 Å2
Refractivity
91.58 m3·mol-1
Polarizability
39.37 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
7
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
6
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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