Glycoside
GD018646
Name:
NoneFormula:
C37H60O7S2Smiles:
CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c1C(C)(C)CAglycone:
CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)cc1C(C)(C)CSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | 7.02 | Num_rotatable_bonds: | 11 |
| MolWt: | 681.01 | Num_heavy_atoms: | 46 |
| TPSA: | 130.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD04256
Formula: C31H48OS2
Smiles:
CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)cc1C(C)(C)C| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 10.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 500.86 | Num_heavy_atoms: | 34 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
