Glycoside
GD007179
Name:
METHYLCATALPOLFormula:
C16H24O10Smiles:
CO[C@H]1[C@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2[C@]2(CO)O[C@@H]12Aglycone:
COC1C2C=COC(O)C2C2(CO)OC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -2.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.36 | Num_heavy_atoms: | 26 |
| TPSA: | 150.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD05864
Formula: C10H14O5
Smiles:
COC1C2C=COC(O)C2C2(CO)OC12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 71.45 | NumAromaticRings: | 0 |
