Glycoside
GD037666
Name:
5'-{[(3s)-3-amino-3-carboxypropyl][2-(1-benzothiophen-3-yl)ethyl]amino}-5'-deoxyadenosineFormula:
C24H29O5N7SSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CN(CCc2csc3ccccc23)CC[C@@H](N)C(=O)O)[C@@H](O)[C@H]1OAglycone:
CN(CCc1csc2ccccc12)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 10 |
| MolWt: | 527.61 | Num_heavy_atoms: | 37 |
| TPSA: | 185.87 | NumAromaticRings: | 4 |
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 |
AD18517
Formula: C15H20O2N2S
Smiles:
CN(CCc1csc2ccccc12)CCC(N)C(=O)O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 292.4 | Num_heavy_atoms: | 20 |
| TPSA: | 66.56 | NumAromaticRings: | 2 |
