Glycoside
GD037906
Name:
n-[4-(acetylamino)butyl]-5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosineFormula:
C33H51O5N9Smiles:
CC(=O)NCCCCNc1ncnc2c1ncn2[C@H]1O[C@H](CN(CCCNC(=O)Nc2ccc(C(C)(C)C)cc2)C(C)C)[C@@H](O)[C@H]1OAglycone:
CC(=O)NCCCCNc1ncnc2c1N=C[N]2.CC(C)N(C)CCCNC(=O)Nc1ccc(C(C)(C)C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 15 |
| MolWt: | 653.83 | Num_heavy_atoms: | 47 |
| TPSA: | 178.79 | NumAromaticRings: | 3 |
Unique Aglycone
AD00137
Formula: C18H31ON3
Smiles:
CC(C)N(C)CCCNC(=O)Nc1ccc(C(C)(C)C)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.61 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 305.47 | Num_heavy_atoms: | 22 |
| TPSA: | 44.37 | NumAromaticRings: | 1 |
AD23774
Formula: C11H15ON6
Smiles:
CC(=O)NCCCCNc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 247.28 | Num_heavy_atoms: | 18 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
