Glycoside
GD111671
Name:
NoneFormula:
C29H40O9SSmiles:
COc1ccc(CO[C@@H]2[C@H](C)O[C@H](O[C@@H]3[C@H](OC)CO[C@H](Sc4ccccc4)[C@@H]3OC)[C@@H](OC)[C@@H]2OC)cc1Aglycone:
COc1ccc(CO)cc1.Sc1ccccc1Sugarmoiety:
COC1COC(O)C(OC)C1OC1OC(C)C(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.59 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 12 |
| MolWt: | 564.7 | Num_heavy_atoms: | 39 |
| TPSA: | 83.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD00337
Formula: C8H10O2
Smiles:
COc1ccc(CO)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.46 | 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 |
