Glycoside
GD137191
Name:
Elymoclavine-O-Beta-Fructofuranosyl-(2->1)-O-Beta-D-RuctofuranosideFormula:
C28H38O11N2Smiles:
CN1CC(COC2(COC3(CO)OC(CO)C(O)C3O)OC(CO)C(O)C2O)=CC2c3cccc4[nH]cc(c34)CC21Aglycone:
CN1CC(CO)=CC2c3cccc4[nH]cc(c34)CC21Sugarmoiety:
OCC1OC(O)(COC2(CO)OC(CO)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 578.62 | Num_heavy_atoms: | 41 |
| TPSA: | 197.56 | NumAromaticRings: | 2 |
Unique Aglycone
AD52295
Formula: C16H18ON2
Smiles:
CN1CC(CO)=CC2c3cccc4[nH]cc(c34)CC21| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.33 | Num_heavy_atoms: | 19 |
| TPSA: | 39.26 | NumAromaticRings: | 2 |
