ginkgolide-C
Thuốc Gốc
Small Molecule
CAS: 15291-76-6
CTHH: C20H24O11
PTK: 440.398
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H24O11
Phân tử khối
440.398
Monoisotopic mass
440.13186161
InChI
InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8+,9+,10-,11+,15+,17+,18-,19-,20-/m1/s1
InChI Key
InChIKey=AMOGMTLMADGEOQ-DTDWCABLSA-N
IUPAC Name
(1R,3R,6R,7S,8S,9R,10S,11R,12R,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-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,9R,10S,11R,12R,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-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]2[C@H](O)[C@]34[C@@H]5OC(=O)[C@]3(O[C@@H]3OC(=O)[C@H](O)[C@]43[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O
Độ hòa tan
8.99e+00 g/l
logP
-1.6
logS
-1.7
pKa (strongest acidic)
11.7
pKa (Strongest Basic)
-3.3
PSA
169.05 Å2
Refractivity
92.67 m3·mol-1
Polarizability
40.09 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
8
H Bond Donor Count
4
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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