Glycoside
GD000329
Name:
NoneFormula:
C21H23O5N7Smiles:
CNc1nc(-n2cc(-c3ccc(OC)cc3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CNc1nc(-n2cc(-c3ccc(OC)cc3)cn2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 453.46 | Num_heavy_atoms: | 33 |
| TPSA: | 152.6 | NumAromaticRings: | 4 |
Unique Aglycone
AD00373
Formula: C16H14ON7
Smiles:
CNc1nc(-n2cc(-c3ccc(OC)cc3)cn2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 320.34 | Num_heavy_atoms: | 24 |
| TPSA: | 91.32 | NumAromaticRings: | 3 |
