Glycoside
GD038431
Name:
5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosineFormula:
C15H25O3N7Smiles:
Cc1nc2c(N)ncnc2n1[C@H]1O[C@H](CN(C)CCCN)[C@H](O)[C@@H]1OAglycone:
CC1=Nc2c(N)ncnc2[N]1.CN(C)CCCNSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 351.41 | Num_heavy_atoms: | 25 |
| TPSA: | 148.57 | 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 |
AD01368
Formula: C5H14N2
Smiles:
CN(C)CCCN| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 102.18 | Num_heavy_atoms: | 7 |
| TPSA: | 29.26 | NumAromaticRings: | 0 |
