Glycoside
GD083504
Name:
NoneFormula:
C19H21O7NCl2Smiles:
O=C(C(=O)N1CC[C@H](OCc2ccc(Cl)cc2Cl)C1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
Clc1ccc(COC2CCNC2)c(Cl)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 422.26 | Num_heavy_atoms: | 27 |
| TPSA: | 127.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD37265
Formula: C13H13ONCl2
Smiles:
Clc1ccc(COC2CCNC2)c(Cl)c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.14 | Num_heavy_atoms: | 15 |
| TPSA: | 21.26 | NumAromaticRings: | 1 |
