Glycoside
GD147402
Name:
[6-({9-[(benzoyloxy)methyl]-8-methoxy-6-methyl-4-oxo-7-oxatricyclo[4.3.0.0³,â¹]nonan-1-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoateFormula:
C31H34O13Smiles:
COC1OC2(C)CC(=O)C3CC2(OC2OC(COC(=O)c4ccc(O)cc4)C(O)C(O)C2O)C13COC(=O)c1ccccc1Aglycone:
COC(=O)c1ccc(O)cc1.COC1OC2(C)CC(=O)C3CC2(O)C13COC(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 614.6 | Num_heavy_atoms: | 44 |
| TPSA: | 187.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD08967
Formula: C18H20O6
Smiles:
COC1OC2(C)CC(=O)C3CC2(O)C13COC(=O)c1ccccc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.35 | Num_heavy_atoms: | 24 |
| TPSA: | 82.06 | NumAromaticRings: | 1 |
