Glycoside
GD038139
Name:
5'-{[(3s)-3-amino-3-carboxypropyl][2-(triazan-1-yl)ethyl]amino}-5'-deoxyadenosineFormula:
C16H28O5N10Smiles:
NNNCCN(CC[C@@H](N)C(=O)O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
CN(CCNNN)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.62 |
| AlogP: | -3.9 | Num_rotatable_bonds: | 11 |
| MolWt: | 440.47 | Num_heavy_atoms: | 31 |
| TPSA: | 235.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD23872
Formula: C7H19O2N5
Smiles:
CN(CCNNN)CCC(N)C(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 205.26 | Num_heavy_atoms: | 14 |
| TPSA: | 116.64 | NumAromaticRings: | 0 |
