Glycoside
GD133287
Name:
NoneFormula:
C16H22O7N2Smiles:
CN1C(=O)CCC1C1=CN(C2OC(C(=O)O)C(O)C(O)C2O)CC=C1Aglycone:
CN1C(=O)CCC1C1=CNCC=C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 354.36 | Num_heavy_atoms: | 25 |
| TPSA: | 130.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD53954
Formula: C10H14ON2
Smiles:
CN1C(=O)CCC1C1=CNCC=C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.23 | Num_heavy_atoms: | 13 |
| TPSA: | 32.34 | NumAromaticRings: | 0 |
