Glycoside
GD021665
Name:
[6-({2-[(benzoyloxy)methyl]-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0²,âµ.0³,â¸]decan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-methoxybenzoateFormula:
C31H34O13Smiles:
COc1ccc(C(=O)OC[C@@H]2O[C@H](O[C@@]34C[C@@H]5[C@@]3(COC(=O)c3ccccc3)C3O[C@@]4(C)C[C@@]5(O)O3)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21O.COC(=O)c1ccc(OC)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 9 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 614.6 | Num_heavy_atoms: | 44 |
| TPSA: | 179.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD00766
Formula: C17H18O6
Smiles:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21O| HBA: | 6 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.59 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.33 | Num_heavy_atoms: | 23 |
| TPSA: | 85.22 | NumAromaticRings: | 1 |
AD02530
Formula: C9H10O3
Smiles:
COC(=O)c1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
