Glycoside
GD103969
Name:
NoneFormula:
C24H28O11NClSmiles:
CC(=O)N[C@@H]1[C@H](OC(=O)COc2ccc(Cl)cc2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Cc1cc(Cl)ccc1OCC(=O)OSugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 529.93 | Num_heavy_atoms: | 36 |
| TPSA: | 152.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD43951
Formula: C10H9O3Cl
Smiles:
Cc1cc(Cl)ccc1OCC(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 200.62 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
