Glycoside
GD136178
Name:
NoneFormula:
C15H23O7NSmiles:
COC1CCC(=CC#N)C(OC2OC(CO)C(O)C(O)C2O)C1Aglycone:
COC1CCC(=CC#N)C(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 329.35 | Num_heavy_atoms: | 23 |
| TPSA: | 132.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD55045
Formula: C9H13O2N
Smiles:
COC1CCC(=CC#N)C(O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 167.21 | Num_heavy_atoms: | 12 |
| TPSA: | 53.25 | NumAromaticRings: | 0 |
