Glycoside
GD110352
Name:
NoneFormula:
C31H36O8NSmiles:
CC/C(=C(/c1ccc(OCC[NH2+]C)cc1)c1cccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1)c1ccccc1Aglycone:
CCC(=C(c1ccc(OCC[NH2+]C)cc1)c1cccc(O)c1)c1ccccc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 11 |
| MolWt: | 550.63 | Num_heavy_atoms: | 40 |
| TPSA: | 142.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD44630
Formula: C25H28O2N
Smiles:
CCC(=C(c1ccc(OCC[NH2+]C)cc1)c1cccc(O)c1)c1ccccc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 374.5 | Num_heavy_atoms: | 28 |
| TPSA: | 46.07 | NumAromaticRings: | 3 |
