Glycoside
GD006226
Name:
9-(hydroxymethyl)-8-methoxy-6-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxatricyclo[4.3.0.0³,â¹]nonan-4-oneFormula:
C17H26O10Smiles:
COC1O[C@]2(C)CC(=O)[C@@H]3C[C@@]2(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@]13COAglycone:
COC1OC2(C)CC(=O)C3CC2(O)C13COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | -2.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.39 | Num_heavy_atoms: | 27 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD05169
Formula: C11H16O5
Smiles:
COC1OC2(C)CC(=O)C3CC2(O)C13CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.24 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
