Glycoside
GD019475
Name:
methyl 5-butoxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C21H32O10Smiles:
CCCCO[C@@H]1C=C(C)[C@@H]2[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC)[C@H]12Aglycone:
CCCCOC1C=C(C)C2C(O)OC=C(C(=O)OC)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 444.48 | Num_heavy_atoms: | 31 |
| TPSA: | 144.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD13591
Formula: C15H22O5
Smiles:
CCCCOC1C=C(C)C2C(O)OC=C(C(=O)OC)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 282.34 | Num_heavy_atoms: | 20 |
| TPSA: | 64.99 | NumAromaticRings: | 0 |
