Glycoside
GD034721
Name:
NoneFormula:
C22H26O10SSmiles:
CC(=O)OC[C@@H]1O[C@H](CC(=O)C=Cc2cccs2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CC(=O)C=Cc1cccs1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 482.51 | Num_heavy_atoms: | 33 |
| TPSA: | 131.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD22039
Formula: C8H8OS
Smiles:
CC(=O)C=Cc1cccs1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.22 | Num_heavy_atoms: | 10 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
