Glycoside
GD129705
Name:
VolkeninFormula:
C12H17O7NSmiles:
N#CC1(OC2OC(CO)C(O)C(O)C2O)C=CC(O)C1Aglycone:
N#CC1(O)C=CC(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 287.27 | Num_heavy_atoms: | 20 |
| TPSA: | 143.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD50072
Formula: C6H7O2N
Smiles:
N#CC1(O)C=CC(O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 0 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 64.25 | NumAromaticRings: | 0 |
