Glycoside
GD113033
Name:
NoneFormula:
C33H34O4SSmiles:
C[C@@H]1O[C@H](Sc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1Aglycone:
OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.Sc1ccccc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 4 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 7.28 | Num_rotatable_bonds: | 11 |
| MolWt: | 526.7 | Num_heavy_atoms: | 38 |
| 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 |
AD07729
Formula: C6H6S
Smiles:
Sc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.18 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
