BIAdb Asimilobine-2-O-glucoside 1230
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1230 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1230 Link to BIAdb Database] | ||
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Current revision
| BIAdb Asimilobine-2-O-glucoside 1230
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C23H27NO7 |
| Mol. mass | 429.46298 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Stephania pierrei
[edit] Function
Cytotoxic
[edit] General Properties
*Molecular Weight
429.46298
*Exact Mass
429.178752
*Molecular Formula
C23H27NO7
*IUPAC NAME
N/A
*Canonical Smiles
COC1=C(C=C2CCNC3C2=C1C4=CC=CC=C4C3)OC5C(C(C(C(O5)CO)O)O)O
*Isomeric Smiles
COC1=C(C=C2CCN[C@H]3C2=C1C4=CC=CC=C4C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
*XLogP
0.8
*Hydrogen bond donor
5
*Hydrogen bond acceptor
8
*Rotational Bond Count
4
*Topological Polar Surface Area
121
