Glycoside
GD028025
Name:
NoneFormula:
C31H43O3N7Smiles:
CC(C)N(C[C@@H]1O[C@H](n2ccc3c(N)ncnc32)[C@H](O)[C@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1Aglycone:
CC(C)N(C)C1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1.Nc1ncnc2c1C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 561.73 | Num_heavy_atoms: | 41 |
| TPSA: | 138.34 | NumAromaticRings: | 4 |
Unique Aglycone
AD00138
Formula: C6H5N4
Smiles:
Nc1ncnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
AD16241
Formula: C21H33N3
Smiles:
CC(C)N(C)C1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 327.52 | Num_heavy_atoms: | 24 |
| TPSA: | 31.92 | NumAromaticRings: | 2 |
