Glycoside
GD113608
Name:
NoneFormula:
C34H36O4SSmiles:
Cc1ccc(S[C@H]2O[C@@H](C)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1Aglycone:
Cc1ccc(S)cc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 4 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 7.59 | Num_rotatable_bonds: | 11 |
| MolWt: | 540.73 | Num_heavy_atoms: | 39 |
| TPSA: | 36.92 | NumAromaticRings: | 4 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD17646
Formula: C7H8S
Smiles:
Cc1ccc(S)cc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 124.21 | Num_heavy_atoms: | 8 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
