Glycoside
GD085166
Name:
NoneFormula:
C19H21O7N2ClSmiles:
N#Cc1ccc(OC2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)cc1ClAglycone:
N#Cc1ccc(OC2CCNCC2)cc1ClSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 412.83 | Num_heavy_atoms: | 28 |
| TPSA: | 151.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD38097
Formula: C13H13ON2Cl
Smiles:
N#Cc1ccc(OC2CCNCC2)cc1Cl| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.7 | Num_heavy_atoms: | 16 |
| TPSA: | 45.05 | NumAromaticRings: | 1 |
