Glycoside
GD038697
Name:
3-[{[(2r,3s,4r,5r)-5-(6-amino-8-methyl-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid eFormula:
C15H23O4N7Smiles:
Cc1nc2c(N)ncnc2n1[C@H]1O[C@H](CN(C)CCC(N)=O)[C@H](O)[C@@H]1OAglycone:
CC1=Nc2c(N)ncnc2[N]1.CN(C)CCC(N)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 365.39 | Num_heavy_atoms: | 26 |
| TPSA: | 165.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD00269
Formula: C6H6N5
Smiles:
CC1=Nc2c(N)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD03408
Formula: C5H12ON2
Smiles:
CN(C)CCC(N)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 46.33 | NumAromaticRings: | 0 |
