Glycoside
GD108592
Name:
NoneFormula:
C26H29O12NS2Smiles:
COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C2=O)cc1OCAglycone:
COC(C)=O.COc1ccc(C=C2SC(=S)NC2=O)cc1OCSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 611.65 | Num_heavy_atoms: | 41 |
| TPSA: | 153.2 | 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 |
AD44453
Formula: C12H11O3NS2
Smiles:
COc1ccc(C=C2SC(=S)NC2=O)cc1OC| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 281.36 | Num_heavy_atoms: | 18 |
| TPSA: | 47.56 | NumAromaticRings: | 1 |
