Glycoside
GD005096
Name:
NoneFormula:
C31H37O9PSmiles:
COC1OC(C(=O)CP(=O)(OC)OC)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1Aglycone:
COP(=O)(CC=O)OC.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.39 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 15 |
| MolWt: | 584.6 | Num_heavy_atoms: | 41 |
| TPSA: | 98.75 | NumAromaticRings: | 3 |
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 |
AD04362
Formula: C4H9O4P
Smiles:
COP(=O)(CC=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 152.09 | Num_heavy_atoms: | 9 |
| TPSA: | 52.6 | NumAromaticRings: | 0 |
