Glycoside
GD155710
Name:
Aquaticoside CFormula:
C23H26O11Smiles:
C=C1C(O)CC2C(C(=O)O)=COC(OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O)C12Aglycone:
C=C1C(O)CC2C(C(=O)O)=COC(O)C12.COC(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.45 | Num_heavy_atoms: | 34 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD10207
Formula: C10H12O5
Smiles:
C=C1C(O)CC2C(C(=O)O)=COC(O)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
