Glycoside
GD008713
Name:
NoneFormula:
C21H22O5N4Smiles:
CN(C)c1ncnc2c1c(-c1cc3ccccc3o1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CN(C)c1ncnc2c1C(c1cc3ccccc3o1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.43 | Num_heavy_atoms: | 30 |
| TPSA: | 117.01 | NumAromaticRings: | 4 |
Unique Aglycone
AD06925
Formula: C16H13ON4
Smiles:
CN(C)c1ncnc2c1C(c1cc3ccccc3o1)=C[N]2| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 277.31 | Num_heavy_atoms: | 21 |
| TPSA: | 56.26 | NumAromaticRings: | 3 |
