Glycoside
GD039619
Name:
5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosineFormula:
C17H27O4N7Smiles:
C=Cc1nc2c(N)ncnc2n1[C@H]1O[C@H](CN(C)CCCCON)[C@@H](O)[C@H]1OAglycone:
C=CC1=Nc2c(N)ncnc2[N]1.CN(C)CCCCONSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 393.45 | Num_heavy_atoms: | 28 |
| TPSA: | 157.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD03708
Formula: C6H16ON2
Smiles:
CN(C)CCCCON| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 132.21 | Num_heavy_atoms: | 9 |
| TPSA: | 38.49 | NumAromaticRings: | 0 |
AD13382
Formula: C7H6N5
Smiles:
C=CC1=Nc2c(N)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.16 | Num_heavy_atoms: | 12 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
