Glycoside
GD009306
Name:
NoneFormula:
C27H32O4N6Smiles:
CCNc1ccc2ccc(OC[C@@H]3O[C@H](n4cc(C5CCCC5)c5c(N)ncnc54)[C@H](O)[C@H]3O)cc2n1Aglycone:
CCNc1ccc2ccc(OC)cc2n1.Nc1ncnc2c1C(C1CCCC1)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 504.59 | Num_heavy_atoms: | 37 |
| TPSA: | 140.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD07304
Formula: C12H14ON2
Smiles:
CCNc1ccc2ccc(OC)cc2n1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 202.26 | Num_heavy_atoms: | 15 |
| TPSA: | 34.15 | NumAromaticRings: | 2 |
AD07305
Formula: C11H13N4
Smiles:
Nc1ncnc2c1C(C1CCCC1)=C[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 201.25 | Num_heavy_atoms: | 15 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
