Glycoside
GD106833
Name:
NoneFormula:
C19H22O11NBrSmiles:
CC(=O)N[C@@H]1[C@H](OC(=O)c2ccc(Br)o2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.O=C(O)c1ccc(Br)o1Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 520.29 | Num_heavy_atoms: | 32 |
| TPSA: | 156.67 | 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 |
AD44227
Formula: C5H3O3Br
Smiles:
O=C(O)c1ccc(Br)o1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 190.98 | Num_heavy_atoms: | 9 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
