Glycoside
GD040317
Name:
2-[4-[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-n-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamideFormula:
C24H27O6N9Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](C(=O)N2CCN(CC(=O)Nc3cccc4c3CNC4=O)CC2)[C@@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CN1CCN(CC(=O)Nc2cccc3c2CNC3=O)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 537.54 | Num_heavy_atoms: | 39 |
| TPSA: | 201.06 | NumAromaticRings: | 3 |
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 |
AD02429
Formula: C15H18O3N4
Smiles:
O=CN1CCN(CC(=O)Nc2cccc3c2CNC3=O)CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.33 | Num_heavy_atoms: | 22 |
| TPSA: | 81.75 | NumAromaticRings: | 1 |
