Name: Arisostatin B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219251764
Cas No:271574-42-6
常用名:Arisostatin B
IUPAC:6-{[9-({4-amino-5-[(methoxycarbonyl)amino]-4,6-dimethyloxan-2-yl}oxy)-3-formyl-5,27-dihydroxy-8,12,18,20,22-pentamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0^{1,6}.0^{13,22}.0^{16,21}]heptacosa-3,7,11,14,24(27)-pentaen-17-yl]oxy}-4-{[5-({4-hydroxy-5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-2-methyloxan-3-yl 2-methylpropanoate
IUPAC:6-{[9-({4-amino-5-[(methoxycarbonyl)amino]-4,6-dimethyloxan-2-yl}oxy)-3-formyl-5,27-dihydroxy-8,12,18,20,22-pentamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0^{1,6}.0^{13,22}.0^{16,21}]heptacosa-3,7,11,14,24(27)-pentaen-17-yl]oxy}-4-{[5-({4-hydroxy-5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-2-methyloxan-3-yl 2-methylpropanoate
InChI key:RSXDYTMRFJAYNL-UHFFFAOYSA-N

分子式:C69H102N2O22
分子量:1311.567
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)NC1C(C)OC(CC1(C)N)OC1CC=C(C)C2C=CC3C(OC4CC(OC5CCC(OC6CC(O)C(OC7CCC(O)C(C)O7)C(C)O6)C(C)O5)C(OC(=O)C(C)C)C(C)O4)C(C)CC(C)C3C2(C)C(=O)C2=C(O)C3(CC(C=O)=CC(O)C3C=C1C)OC2=O
SMILES:COC(=O)NC1C(C)OC(CC1(C)N)OC1CC=C(C)C2C=CC3C(OC4CC(OC5CCC(OC6CC(O)C(OC7CCC(O)C(C)O7)C(C)O6)C(C)O5)C(OC(=O)C(C)C)C(C)O4)C(C)CC(C)C3C2(C)C(=O)C2=C(O)C3(CC(C=O)=CC(O)C3C=C1C)OC2=O

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