Glycoside
GD028528
Name:
NoneFormula:
C45H60O3N10Smiles:
C[C@H]([C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)N(C1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1)C1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1Aglycone:
CCN(C1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1)C1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | 6.89 | Num_rotatable_bonds: | 11 |
| MolWt: | 789.04 | Num_heavy_atoms: | 58 |
| TPSA: | 179.91 | NumAromaticRings: | 6 |
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 |
AD18626
Formula: C36H51N5
Smiles:
CCN(C1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1)C1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.61 |
| AlogP: | 8.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 553.84 | Num_heavy_atoms: | 41 |
| TPSA: | 60.6 | NumAromaticRings: | 4 |
