Glycoside
GD074750
Name:
NoneFormula:
C18H25O9NSmiles:
COc1cc(CC(=O)C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)ccc1OAglycone:
COc1cc(CC(=O)C(=O)NCCO)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 399.4 | Num_heavy_atoms: | 28 |
| TPSA: | 154.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD34558
Formula: C12H15O5N
Smiles:
COc1cc(CC(=O)C(=O)NCCO)ccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 253.25 | Num_heavy_atoms: | 18 |
| TPSA: | 95.86 | NumAromaticRings: | 1 |
