Glycoside
GD122210
Name:
IsoconiferinosideFormula:
C22H32O13Smiles:
COc1cc(C=CCOC2OC(CO)C(O)C(O)C2O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C=CCO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -3.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 504.49 | Num_heavy_atoms: | 35 |
| TPSA: | 207.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD05908
Formula: C10H12O3
Smiles:
COc1cc(C=CCO)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
