Glycoside
GD153702
Name:
methyl 7-(hydroxymethyl)-5-methoxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C18H26O11Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CC(OC)C12Aglycone:
COC(=O)C1=COC(O)C2C(CO)=CC(OC)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.4 | Num_heavy_atoms: | 29 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD22608
Formula: C12H16O6
Smiles:
COC(=O)C1=COC(O)C2C(CO)=CC(OC)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.25 | Num_heavy_atoms: | 18 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
