Glycoside
GD152502
Name:
methyl 4-(2-butoxy-2-oxoethyl)-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C21H32O11Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCCCAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 460.48 | Num_heavy_atoms: | 32 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD51531
Formula: C15H22O6
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OCCCC| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 298.34 | Num_heavy_atoms: | 21 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
