Glycoside
GD113832
Name:
NoneFormula:
C40H38O6Smiles:
O=C(C[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](COCc1ccccc1)OC(=O)c1ccccc1)c1ccccc1Aglycone:
Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.O=Cc1ccccc1.c1ccccc1Sugarmoiety:
OCC(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 7.87 | Num_rotatable_bonds: | 17 |
| MolWt: | 614.74 | Num_heavy_atoms: | 46 |
| TPSA: | 71.06 | NumAromaticRings: | 5 |
Unique Aglycone
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD01696
Formula: C7H6O
Smiles:
O=Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 106.12 | Num_heavy_atoms: | 8 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
AD02938
Formula: C6H6
Smiles:
c1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 78.11 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
