Glycoside
GD132447
Name:
Icariside E3Formula:
C26H36O11Smiles:
COc1cc(CC(CO)c2cc(CCCO)cc(OC)c2OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(CC(CO)c2cc(CCCO)cc(OC)c2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 12 |
| MolWt: | 524.56 | Num_heavy_atoms: | 37 |
| TPSA: | 178.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD53629
Formula: C20H26O6
Smiles:
COc1cc(CC(CO)c2cc(CCCO)cc(OC)c2O)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 362.42 | Num_heavy_atoms: | 26 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
