Glycoside
GD084231
Name:
NoneFormula:
C17H20O7N2Cl2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)Cn2cc(Cl)c(=O)c(Cl)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(Cn1cc(Cl)c(=O)c(Cl)c1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 411.24 | Num_heavy_atoms: | 26 |
| TPSA: | 130.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD37596
Formula: C11H10O3N2Cl2
Smiles:
O=C(Cn1cc(Cl)c(=O)c(Cl)c1)NCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 265.1 | Num_heavy_atoms: | 16 |
| TPSA: | 71.33 | NumAromaticRings: | 1 |
