Glycoside
GD023501
Name:
NoneFormula:
C21H27O6N5Smiles:
COc1ccc(CCCNc2ncnc3c2ncn3C2O[C@H](CO)[C@H](O)[C@H]2O)cc1OCAglycone:
COc1ccc(CCCNc2ncnc3c2N=C[N]3)cc1OCSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 445.48 | Num_heavy_atoms: | 32 |
| TPSA: | 144.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD15795
Formula: C16H18O2N5
Smiles:
COc1ccc(CCCNc2ncnc3c2N=C[N]3)cc1OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 312.35 | Num_heavy_atoms: | 23 |
| TPSA: | 82.73 | NumAromaticRings: | 2 |
