Glycoside
GD135410
Name:
methyl 3-[2-(acetyloxy)ethylidene]-2-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-4-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C22H30O14Smiles:
COC(=O)CC1C(C(=O)OC)=COC(OC2OC(COC(C)=O)C(O)C(O)C2O)C1=CCOC(C)=OAglycone:
COC(=O)CC1C(C(=O)OC)=COC(O)C1=CCOC(C)=O.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 518.47 | Num_heavy_atoms: | 36 |
| TPSA: | 193.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD54752
Formula: C14H18O8
Smiles:
COC(=O)CC1C(C(=O)OC)=COC(O)C1=CCOC(C)=O| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 314.29 | Num_heavy_atoms: | 22 |
| TPSA: | 108.36 | NumAromaticRings: | 0 |
