Glycoside
GD036965
Name:
NoneFormula:
C21H26O5N6Smiles:
O=C(NCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)C1=CC2C=CC1CC2Aglycone:
O=C(NCCNc1ncnc2c1N=C[N]2)C1=CC2C=CC1CC2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.48 | Num_heavy_atoms: | 32 |
| TPSA: | 154.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD23307
Formula: C16H17ON6
Smiles:
O=C(NCCNc1ncnc2c1N=C[N]2)C1=CC2C=CC1CC2| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.35 | Num_heavy_atoms: | 23 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
