Glycoside
GD125499
Name:
Mollugoside Methyl EsterFormula:
C18H24O12Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C=CC2(O)C(=O)OCAglycone:
COC(=O)C1=COC(O)C2C1C=CC2(O)C(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -3.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.38 | Num_heavy_atoms: | 30 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD50755
Formula: C12H14O7
Smiles:
COC(=O)C1=COC(O)C2C1C=CC2(O)C(=O)OC| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 270.24 | Num_heavy_atoms: | 19 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
