Glycoside
GD002983
Name:
NoneFormula:
C47H44O6NFSmiles:
Fc1ccc(OC[C@@H]2O[C@H](OCCc3c[nH]c4ccccc34)[C@H](OCc3ccc4ccccc4c3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1Aglycone:
COc1ccc(F)cc1.OCCc1c[nH]c2ccccc12.OCc1ccc2ccccc2c1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 9.58 | Num_rotatable_bonds: | 16 |
| MolWt: | 737.87 | Num_heavy_atoms: | 55 |
| TPSA: | 71.17 | NumAromaticRings: | 7 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00863
Formula: C10H11ON
Smiles:
OCCc1c[nH]c2ccccc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 161.2 | Num_heavy_atoms: | 12 |
| TPSA: | 36.02 | NumAromaticRings: | 2 |
AD01045
Formula: C11H10O
Smiles:
OCc1ccc2ccccc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 158.2 | Num_heavy_atoms: | 12 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
AD02768
Formula: C7H7OF
Smiles:
COc1ccc(F)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 126.13 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
