Glycoside
GD151818
Name:
methyl 4-(2-{2-[3-(acetyloxy)-4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}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:
C49H60O27Smiles:
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(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(OC(C)=O)c1Aglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)c(OC(C)=O)c1.COC(C)=O.COC(C)=OSugarmoiety:
CC(=O)OC1OC(O)OC(O)C1OC(C)=O.CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.57 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 21 |
| MolWt: | 1080.99 | Num_heavy_atoms: | 76 |
| TPSA: | 335.45 | 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 |
AD60509
Formula: C21H24O9
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)c(OC(C)=O)c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.41 | Num_heavy_atoms: | 30 |
| TPSA: | 128.59 | NumAromaticRings: | 1 |
