Glycoside
GD149878
Name:
Ajureptaside DFormula:
C21H30O14Smiles:
CC1=CC(=O)C2(OC3OC(CO)C(O)C(O)C3O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1=CC(=O)C2(O)C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | -4.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.46 | Num_heavy_atoms: | 35 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD49121
Formula: C9H10O4
Smiles:
CC1=CC(=O)C2(O)C=COC(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
