Glycoside
GD134879
Name:
methyl 1-[(6-{[(5-ethenyl-1-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-3-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-6-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C33H46O19Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OCC3OC(OC4OC=C(C(=O)OC)C5CC(O)C(C)C45)C(O)C(O)C3O)CC21Aglycone:
C=CC1C(O)OC=C2C(=O)OC(OC)CC21.COC(=O)C1=COC(O)C2C1CC(O)C2CSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | -3.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 746.71 | Num_heavy_atoms: | 52 |
| TPSA: | 279.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD00333
Formula: C11H16O5
Smiles:
COC(=O)C1=COC(O)C2C1CC(O)C2C| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.24 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
AD54559
Formula: C11H14O5
Smiles:
C=CC1C(O)OC=C2C(=O)OC(OC)CC21| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.23 | Num_heavy_atoms: | 16 |
| TPSA: | 64.99 | NumAromaticRings: | 0 |
