Glycoside
GD039947
Name:
5'-([(3s)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosineFormula:
C33H42O5N8Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CN(CC[C@@H](N)C(=O)O)CC2CN(CCC(c3ccccc3)c3ccccc3)C2)[C@@H](O)[C@H]1OAglycone:
CN(CCC(N)C(=O)O)CC1CN(CCC(c2ccccc2)c2ccccc2)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 14 |
| MolWt: | 630.75 | Num_heavy_atoms: | 46 |
| TPSA: | 189.11 | 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 |
AD22851
Formula: C24H33O2N3
Smiles:
CN(CCC(N)C(=O)O)CC1CN(CCC(c2ccccc2)c2ccccc2)C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 11 |
| MolWt: | 395.55 | Num_heavy_atoms: | 29 |
| TPSA: | 69.8 | NumAromaticRings: | 2 |
