Glycoside
GD012158
Name:
NoneFormula:
C18H21O7N5Smiles:
COc1ccc(Cn2c(=O)n(C3OC(CO)[C@H](O)[C@H]3O)c3nc(N)nc(O)c32)cc1Aglycone:
COc1ccc(Cn2c(=O)[nH]c3nc(N)nc(O)c32)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 419.39 | Num_heavy_atoms: | 30 |
| TPSA: | 178.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD09187
Formula: C13H13O3N5
Smiles:
COc1ccc(Cn2c(=O)[nH]c3nc(N)nc(O)c32)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 287.28 | Num_heavy_atoms: | 21 |
| TPSA: | 119.05 | NumAromaticRings: | 3 |
