Glycoside
GD006429
Name:
NoneFormula:
C36H38O10Smiles:
O=C(O)c1ccc(COCC(OCc2ccccc2)C(O)C(O)C(COCc2ccc(C(=O)O)cc2)OCc2ccccc2)cc1Aglycone:
Cc1ccc(C(=O)O)cc1.Cc1ccc(C(=O)O)cc1.Cc1ccccc1.Cc1ccccc1Sugarmoiety:
OOCC(OO)C(O)C(O)C(COO)OOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 19 |
| MolWt: | 630.69 | Num_heavy_atoms: | 46 |
| TPSA: | 151.98 | NumAromaticRings: | 4 |
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 |
AD00492
Formula: C8H8O2
Smiles:
Cc1ccc(C(=O)O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
