Glycoside
GD132658
Name:
NoneFormula:
C19H24O10Smiles:
COc1c(C)c2c(c(OC3OC(COC(C)=O)C(O)C(O)C3O)c1C)C(=O)OC2Aglycone:
COC(C)=O.COc1c(C)c(O)c2c(c1C)COC2=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.39 | Num_heavy_atoms: | 29 |
| TPSA: | 140.98 | 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 |
AD45284
Formula: C11H12O4
Smiles:
COc1c(C)c(O)c2c(c1C)COC2=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
