Glycoside
GD030674
Name:
[1-({6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-8-methoxy-6-methyl-7-oxatricyclo[4.3.0.0³,â¹]nonan-9-yl]methyl benzoateFormula:
C31H36O11Smiles:
CO[C@@H]1O[C@]2(C)CC[C@@H]3C[C@@]2(O[C@@H]2O[C@H](COC(=O)c4ccccc4)[C@H](O)[C@H](O)[C@H]2O)[C@]31COC(=O)c1ccccc1Aglycone:
COC(=O)c1ccccc1.COC1OC2(C)CCC3CC2(O)C31COC(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 584.62 | Num_heavy_atoms: | 42 |
| TPSA: | 150.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD19836
Formula: C18H22O5
Smiles:
COC1OC2(C)CCC3CC2(O)C31COC(=O)c1ccccc1| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 318.37 | Num_heavy_atoms: | 23 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
