Glycoside
GD154525
Name:
AquilarisinFormula:
C22H20O13Smiles:
COc1c(O)c(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c2oc(-c3ccc(O)cc3)cc(=O)c12Aglycone:
COc1c(O)c(O)c(O)c2oc(-c3ccc(O)cc3)cc(=O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.39 | Num_heavy_atoms: | 35 |
| TPSA: | 216.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD61366
Formula: C16H12O7
Smiles:
COc1c(O)c(O)c(O)c2oc(-c3ccc(O)cc3)cc(=O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
