Glycoside
GD122082
Name:
methyl 3-[3-(acetyloxy)-4-[(3-methyl-4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}but-2-en-1-yl)oxy]phenyl]prop-2-enoateFormula:
C31H38O15Smiles:
COC(=O)C=Cc1ccc(OCC=C(C)COC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(OC(C)=O)c1Aglycone:
COC(=O)C=Cc1ccc(OCC=C(C)CO)c(OC(C)=O)c1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.48 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 14 |
| MolWt: | 650.63 | Num_heavy_atoms: | 46 |
| TPSA: | 185.49 | 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 |
AD49178
Formula: C17H20O6
Smiles:
COC(=O)C=Cc1ccc(OCC=C(C)CO)c(OC(C)=O)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 320.34 | Num_heavy_atoms: | 23 |
| TPSA: | 82.06 | NumAromaticRings: | 1 |
