Glycoside
GD145029
Name:
methyl 5-butoxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C21H32O11Smiles:
CCCCOC1C=C(CO)C2C(OC3OC(CO)C(O)C(O)C3O)OC=C(C(=O)OC)C12Aglycone:
CCCCOC1C=C(CO)C2C(O)OC=C(C(=O)OC)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 460.48 | Num_heavy_atoms: | 32 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD48440
Formula: C15H22O6
Smiles:
CCCCOC1C=C(CO)C2C(O)OC=C(C(=O)OC)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 298.34 | Num_heavy_atoms: | 21 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
