Glycoside
GD001002
Name:
NoneFormula:
C36H42O8Smiles:
OCc1ccc(COCC(OCc2ccccc2)C(O)C(O)C(COCc2ccc(CO)cc2)OCc2ccccc2)cc1Aglycone:
Cc1ccc(CO)cc1.Cc1ccc(CO)cc1.Cc1ccccc1.Cc1ccccc1Sugarmoiety:
OCC(OO)C(O)C(O)C(COO)OO.OOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 19 |
| MolWt: | 602.72 | Num_heavy_atoms: | 44 |
| TPSA: | 117.84 | 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 |
AD01043
Formula: C8H10O
Smiles:
Cc1ccc(CO)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
