Glycoside
GD139775
Name:
4-(methoxycarbonyl)-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-6-yl 5-ethenyl-4-(2-oxoethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3-carboxylateFormula:
C33H48O19Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OCC(C(=O)OC2CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3C2C)C1CC=OAglycone:
C=CC1C(O)OCC(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CC=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.79 |
| AlogP: | -3.8 | Num_rotatable_bonds: | 12 |
| MolWt: | 748.73 | Num_heavy_atoms: | 52 |
| TPSA: | 286.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD56368
Formula: C21H28O9
Smiles:
C=CC1C(O)OCC(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CC=O| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
