Glycoside

GD128587
Name:
methyl 7-(hydroxymethyl)-7-methoxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C18H26O11Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C=CC2(CO)OCAglycone:
COC(=O)C1=COC(O)C2C1C=CC2(CO)OCSugarmoiety:
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
AD52086
Formula: C12H16O6
Smiles:
COC(=O)C1=COC(O)C2C1C=CC2(CO)OCHBA: | 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 |