Glycoside
GD125942
Name:
urphoside bFormula:
C24H29O13ClSmiles:
COc1ccc(C(=O)OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C(O)(CO)C2Cl)cc1OAglycone:
COc1ccc(C(=O)OC2C3C=COC(O)C3C(O)(CO)C2Cl)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 548.93 | Num_heavy_atoms: | 37 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD50939
Formula: C18H19O8Cl
Smiles:
COc1ccc(C(=O)OC2C3C=COC(O)C3C(O)(CO)C2Cl)cc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 386.78 | Num_heavy_atoms: | 26 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
