Glycoside
GD125356
Name:
methyl 4-(2-{2-[3,4-bis(acetyloxy)phenyl]ethoxy}-2-oxoethyl)-3-ethylidene-2-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C37H44O19Smiles:
CC=C1C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(OC(C)=O)c(OC(C)=O)c1Aglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(OC(C)=O)c(OC(C)=O)c1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.51 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 15 |
| MolWt: | 792.74 | Num_heavy_atoms: | 56 |
| TPSA: | 238.09 | NumAromaticRings: | 1 |
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 |
AD50696
Formula: C23H26O10
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(OC(C)=O)c(OC(C)=O)c1| HBA: | 10 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 462.45 | Num_heavy_atoms: | 33 |
| TPSA: | 134.66 | NumAromaticRings: | 1 |
