Glycoside
GD127851
Name:
LabadosideFormula:
C38H42O16Smiles:
CC(=O)c1c(C)c(-c2c(C)c(C(C)=O)c(O)c3c(OC4OC(CO)C(O)C(O)C4O)cccc23)c2cccc(OC3OC(CO)C(O)C(O)C3O)c2c1OAglycone:
CC(=O)c1c(C)c(-c2c(C)c(C(C)=O)c(O)c3c(O)cccc23)c2cccc(O)c2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.42 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 754.74 | Num_heavy_atoms: | 54 |
| TPSA: | 273.36 | NumAromaticRings: | 4 |
Unique Aglycone
AD51783
Formula: C26H22O6
Smiles:
CC(=O)c1c(C)c(-c2c(C)c(C(C)=O)c(O)c3c(O)cccc23)c2cccc(O)c2c1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 5.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 430.46 | Num_heavy_atoms: | 32 |
| TPSA: | 115.06 | NumAromaticRings: | 4 |
