Glycoside
GD032331
Name:
NoneFormula:
C33H34O15Smiles:
CC(=O)Oc1cc(C)cc2c1C(=O)c1c(OC(C)=O)cc(O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc1C2OC(C)=OAglycone:
CC(=O)Oc1cc(C)cc2c1C(=O)c1c(OC(C)=O)cc(O)cc1C2OC(C)=OSugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 670.62 | Num_heavy_atoms: | 48 |
| TPSA: | 193.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD20745
Formula: C21H18O8
Smiles:
CC(=O)Oc1cc(C)cc2c1C(=O)c1c(OC(C)=O)cc(O)cc1C2OC(C)=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 398.37 | Num_heavy_atoms: | 29 |
| TPSA: | 116.2 | NumAromaticRings: | 2 |
