Glycoside
GD128256
Name:
lonijaposide uFormula:
C28H37O13NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1C=CC1=CC(C(=O)O)=CN(C(C(=O)O)C(C)CC)C1Aglycone:
C=CC1C(O)OC=C(C(=O)O)C1C=CC1=CC(C(=O)O)=CN(C(C(=O)O)C(C)CC)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 595.6 | Num_heavy_atoms: | 42 |
| TPSA: | 223.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD51955
Formula: C22H27O8N
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1C=CC1=CC(C(=O)O)=CN(C(C(=O)O)C(C)CC)C1| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 433.46 | Num_heavy_atoms: | 31 |
| TPSA: | 144.6 | NumAromaticRings: | 0 |
