Glycoside
GD028781
Name:
NoneFormula:
C33H36O4N6Smiles:
OC[C@@H]1O[C@H](CNc2nc(NCCc3ccccc3)c3nc[nH]c3n2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
CNc1nc(NCCc2ccccc2)c2nc[nH]c2n1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 14 |
| MolWt: | 580.69 | Num_heavy_atoms: | 43 |
| TPSA: | 126.44 | NumAromaticRings: | 5 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD16419
Formula: C14H16N6
Smiles:
CNc1nc(NCCc2ccccc2)c2nc[nH]c2n1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 268.32 | Num_heavy_atoms: | 20 |
| TPSA: | 78.52 | NumAromaticRings: | 3 |
