Glycoside
GD116535
Name:
PhellodendrosideFormula:
C26H30O11Smiles:
CC1(C)CCc2c(cc(O)c3c2OC(c2ccc(O)cc2)C(OC2OC(CO)C(O)C(O)C2O)C3=O)O1Aglycone:
CC1(C)CCc2c(cc(O)c3c2OC(c2ccc(O)cc2)C(O)C3=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 518.52 | Num_heavy_atoms: | 37 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD46294
Formula: C20H20O6
Smiles:
CC1(C)CCc2c(cc(O)c3c2OC(c2ccc(O)cc2)C(O)C3=O)O1| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 356.37 | Num_heavy_atoms: | 26 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
