Glycoside
GD031802
Name:
7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-5-yl 4-methoxybenzoateFormula:
C23H28O11Smiles:
COc1ccc(C(=O)O[C@@H]2C=C(CO)[C@@H]3[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)OC=C[C@H]23)cc1Aglycone:
COc1ccc(C(=O)OC2C=C(CO)C3C(O)OC=CC23)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.47 | Num_heavy_atoms: | 34 |
| TPSA: | 164.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD20464
Formula: C17H18O6
Smiles:
COc1ccc(C(=O)OC2C=C(CO)C3C(O)OC=CC23)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 318.32 | Num_heavy_atoms: | 23 |
| TPSA: | 85.22 | NumAromaticRings: | 1 |
