Glycoside
GD157607
Name:
lonijaposide kFormula:
C23H29O11NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1C=CC1=CC=CN(CC(=O)O)C1Aglycone:
C=CC1C(O)OC=C(C(=O)O)C1C=CC1=CC=CN(CC(=O)O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 495.48 | Num_heavy_atoms: | 35 |
| TPSA: | 186.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD62298
Formula: C17H19O6N
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1C=CC1=CC=CN(CC(=O)O)C1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 333.34 | Num_heavy_atoms: | 24 |
| TPSA: | 107.3 | NumAromaticRings: | 0 |
