Glycoside
GD133528
Name:
lonijaposide sFormula:
C30H35O11NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1C=CC1=CN(C(Cc2ccccc2)C(=O)O)CC=C1Aglycone:
C=CC1C(O)OC=C(C(=O)O)C1C=CC1=CN(C(Cc2ccccc2)C(=O)O)CC=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 11 |
| MolWt: | 585.61 | Num_heavy_atoms: | 42 |
| TPSA: | 186.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD54039
Formula: C24H25O6N
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1C=CC1=CN(C(Cc2ccccc2)C(=O)O)CC=C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 423.47 | Num_heavy_atoms: | 31 |
| TPSA: | 107.3 | NumAromaticRings: | 1 |
