Glycoside
GD022071
Name:
NoneFormula:
C16H18O6N4Smiles:
COc1nc(N)nc2c1c(-c1ccco1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
COc1nc(N)nc2c1C(c1ccco1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.34 | Num_heavy_atoms: | 26 |
| TPSA: | 149.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD15007
Formula: C11H9O2N4
Smiles:
COc1nc(N)nc2c1C(c1ccco1)=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 229.22 | Num_heavy_atoms: | 17 |
| TPSA: | 88.27 | NumAromaticRings: | 2 |
