Glycoside
GD051186
Name:
NoneFormula:
C15H20O6N2Smiles:
O=C(C[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@@H](O)[C@H]1O)NC1CC1Aglycone:
CC(=O)NC1CC1.CNC(=O)c1ccco1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 324.33 | Num_heavy_atoms: | 23 |
| TPSA: | 121.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD18098
Formula: C6H7O2N
Smiles:
CNC(=O)c1ccco1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 42.24 | NumAromaticRings: | 1 |
AD19521
Formula: C5H9ON
Smiles:
CC(=O)NC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
