Glycoside
GD090504
Name:
NoneFormula:
C21H27O7N3Smiles:
COCCn1c(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc2c1c1ccccc1n2CAglycone:
COCCn1c(C(N)=O)cc2c1c1ccccc1n2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 433.46 | Num_heavy_atoms: | 31 |
| TPSA: | 138.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD39373
Formula: C15H17O2N3
Smiles:
COCCn1c(C(N)=O)cc2c1c1ccccc1n2C| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 271.32 | Num_heavy_atoms: | 20 |
| TPSA: | 62.18 | NumAromaticRings: | 3 |
