Glycoside
GD065689
Name:
NoneFormula:
C15H23O7N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)Cn2cccc(N)c2=O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
Nc1cccn(CC(=O)NCCO)c1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 357.36 | Num_heavy_atoms: | 25 |
| TPSA: | 156.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD31613
Formula: C9H13O3N3
Smiles:
Nc1cccn(CC(=O)NCCO)c1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 211.22 | Num_heavy_atoms: | 15 |
| TPSA: | 97.35 | NumAromaticRings: | 1 |
