Glycoside
GD014438
Name:
NoneFormula:
C37H26O11Smiles:
O=C(O[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@@H](C(=O)O)O[C@@H](C2=CC(=O)c3ccccc3C2=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1Aglycone:
O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C1C=CC(=O)c2ccccc21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 646.6 | Num_heavy_atoms: | 48 |
| TPSA: | 159.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD10616
Formula: C10H6O2
Smiles:
O=C1C=CC(=O)c2ccccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.16 | Num_heavy_atoms: | 12 |
| TPSA: | 34.14 | NumAromaticRings: | 1 |
