Glycoside
GD048050
Name:
NoneFormula:
C13H22O7N2Smiles:
CNC(=O)/C=C/C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1OAglycone:
CNC(=O)C=CC(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 318.33 | Num_heavy_atoms: | 22 |
| TPSA: | 137.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD25794
Formula: C7H12O3N2
Smiles:
CNC(=O)C=CC(=O)NCCO| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 172.18 | Num_heavy_atoms: | 12 |
| TPSA: | 78.43 | NumAromaticRings: | 0 |
