Glycoside
GD142181
Name:
lonijaposide wFormula:
C31H35O13NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1C=CC1=CN(C(Cc2ccccc2)C(=O)O)CC(C(=O)O)=C1Aglycone:
C=CC1C(O)OC=C(C(=O)O)C1C=CC1=CN(C(Cc2ccccc2)C(=O)O)CC(C(=O)O)=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 12 |
| MolWt: | 629.62 | Num_heavy_atoms: | 45 |
| TPSA: | 223.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD57225
Formula: C25H25O8N
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1C=CC1=CN(C(Cc2ccccc2)C(=O)O)CC(C(=O)O)=C1| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 467.47 | Num_heavy_atoms: | 34 |
| TPSA: | 144.6 | NumAromaticRings: | 1 |
