Glycoside
GD013998
Name:
NoneFormula:
C19H22O8N2Smiles:
Cc1cn(C2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n(CC(=O)OCc2ccccc2)c1=OAglycone:
Cc1c[nH]c(=O)n(CC(=O)OCc2ccccc2)c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.39 | Num_heavy_atoms: | 29 |
| TPSA: | 140.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD10370
Formula: C14H14O4N2
Smiles:
Cc1c[nH]c(=O)n(CC(=O)OCc2ccccc2)c1=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.28 | Num_heavy_atoms: | 20 |
| TPSA: | 81.16 | NumAromaticRings: | 2 |
