Glycoside
GD113164
Name:
NoneFormula:
C36H32O9SSmiles:
CCS[C@@H]1O[C@H]([C@H](COC(=O)c2ccccc2)OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1Aglycone:
O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(OCCOC(=O)c1ccccc1)c1ccccc1Sugarmoiety:
CCSC1OOC(C(O)CO)O1Other Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 6.0 | Num_rotatable_bonds: | 12 |
| MolWt: | 640.71 | Num_heavy_atoms: | 46 |
| TPSA: | 114.43 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD44720
Formula: C16H14O4
Smiles:
O=C(OCCOC(=O)c1ccccc1)c1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.28 | Num_heavy_atoms: | 20 |
| TPSA: | 52.6 | NumAromaticRings: | 2 |
