Glycoside
GD012865
Name:
NoneFormula:
C21H21O6N5Smiles:
CONc1nc(C#Cc2ccc(C(C)=O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CONc1nc(C#Cc2ccc(C(C)=O)cc2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 439.43 | Num_heavy_atoms: | 32 |
| TPSA: | 151.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD09660
Formula: C16H12O2N5
Smiles:
CONc1nc(C#Cc2ccc(C(C)=O)cc2)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.31 | Num_heavy_atoms: | 23 |
| TPSA: | 90.57 | NumAromaticRings: | 2 |
