Glycoside
GD129111
Name:
Elymoclavine-O-Beta-FructofuranosideFormula:
C22H28O6N2Smiles:
CN1CC(COC2(CO)OC(CO)C(O)C2O)=CC2c3cccc4[nH]cc(c34)CC21Aglycone:
CN1CC(CO)=CC2c3cccc4[nH]cc(c34)CC21Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.47 | Num_heavy_atoms: | 30 |
| TPSA: | 118.41 | 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 |
