Glycoside
GD127512
Name:
Picroroside BFormula:
C32H36O15Smiles:
COc1cc(C(=O)OC2C(O)C3CC4OCC2(O)C3C(OC2OC(COC(=O)C=Cc3ccccc3)C(O)C(O)C2O)O4)ccc1OAglycone:
COC(=O)C=Cc1ccccc1.COc1cc(C(=O)OC2C(O)C3CC4OCC2(O)C3C(O)O4)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 660.63 | Num_heavy_atoms: | 47 |
| TPSA: | 220.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD51638
Formula: C17H20O9
Smiles:
COc1cc(C(=O)OC2C(O)C3CC4OCC2(O)C3C(O)O4)ccc1O| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 368.34 | Num_heavy_atoms: | 26 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
