Glycoside
GD034719
Name:
NoneFormula:
C28H38O14N6Smiles:
COCCOc1nc(N)c2nc(O)n(Cc3ccc(C(=O)NC4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)cc3)c2n1Aglycone:
COCCOc1nc(N)c2nc(O)n(Cc3ccc(C(N)=O)cc3)c2n1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.57 |
| AlogP: | -4.46 | Num_rotatable_bonds: | 12 |
| MolWt: | 682.64 | Num_heavy_atoms: | 48 |
| TPSA: | 306.71 | NumAromaticRings: | 3 |
Unique Aglycone
AD16837
Formula: C16H18O4N6
Smiles:
COCCOc1nc(N)c2nc(O)n(Cc3ccc(C(N)=O)cc3)c2n1| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 358.36 | Num_heavy_atoms: | 26 |
| TPSA: | 151.4 | NumAromaticRings: | 3 |
