Glycoside
GD080934
Name:
NoneFormula:
C18H21O6N5Smiles:
CN1Cc2c(Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cccc2C1=OAglycone:
CN1Cc2c(NC3=C(C(N)=O)N=C[N]3)cccc2C1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 403.4 | Num_heavy_atoms: | 29 |
| TPSA: | 163.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD36538
Formula: C13H12O2N5
Smiles:
CN1Cc2c(NC3=C(C(N)=O)N=C[N]3)cccc2C1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 270.27 | Num_heavy_atoms: | 20 |
| TPSA: | 101.89 | NumAromaticRings: | 1 |
