Glycoside
GD112221
Name:
NoneFormula:
C31H30O7SSmiles:
Cc1ccc(S(=O)(=O)O[C@H](C=O)[C@@H](O)[C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Aglycone:
Cc1ccc([S](=O)=O)cc1.c1ccc(C(c2ccccc2)c2ccccc2)cc1Sugarmoiety:
O=CC(OO)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 4.0 | Num_rotatable_bonds: | 12 |
| MolWt: | 546.64 | Num_heavy_atoms: | 39 |
| TPSA: | 110.13 | NumAromaticRings: | 4 |
Unique Aglycone
AD00423
Formula: C7H7O2S
Smiles:
Cc1ccc([S](=O)=O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 155.2 | Num_heavy_atoms: | 10 |
| TPSA: | 34.14 | NumAromaticRings: | 1 |
AD00424
Formula: C19H16
Smiles:
c1ccc(C(c2ccccc2)c2ccccc2)cc1| HBA: | 0 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.05 |
| AlogP: | 4.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 244.34 | Num_heavy_atoms: | 19 |
| TPSA: | 0.0 | NumAromaticRings: | 3 |
