Glycoside
GD017579
Name:
methyl 4a,5-dihydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C17H24O11Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2C(C)=C[C@H](O)[C@]12OAglycone:
COC(=O)C1=COC(O)C2C(C)=CC(O)C12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -3.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 404.37 | Num_heavy_atoms: | 28 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD12531
Formula: C11H14O6
Smiles:
COC(=O)C1=COC(O)C2C(C)=CC(O)C12O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
