Glycoside
GD078469
Name:
NoneFormula:
C20H26O6NClSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)C2(c3cccc(Cl)c3)CCC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1(c2cccc(Cl)c2)CCC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 399.87 | Num_heavy_atoms: | 27 |
| TPSA: | 108.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD36036
Formula: C14H16O2NCl
Smiles:
O=C(NCCO)C1(c2cccc(Cl)c2)CCC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 253.73 | Num_heavy_atoms: | 17 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
