Glycoside
GD025219
Name:
NoneFormula:
C14H19O6NSmiles:
CC(=O)NCC1O[C@H](Oc2ccccc2)[C@H](O)C(O)[C@H]1OAglycone:
CNC(C)=O.Oc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 297.31 | Num_heavy_atoms: | 21 |
| TPSA: | 108.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD01019
Formula: C3H7ON
Smiles:
CNC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD01349
Formula: C6H6O
Smiles:
Oc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 94.11 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
