Glycoside
GD010160
Name:
NoneFormula:
C36H39O9PSmiles:
CC(=O)OP(=O)(O)C1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1Aglycone:
CC(=O)O[PH](=O)O.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 6.43 | Num_rotatable_bonds: | 15 |
| MolWt: | 646.67 | Num_heavy_atoms: | 46 |
| TPSA: | 109.75 | NumAromaticRings: | 4 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
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 |
AD07886
Formula: C2H5O4P
Smiles:
CC(=O)O[PH](=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.03 | Num_heavy_atoms: | 7 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
