Glycoside
GD111242
Name:
NoneFormula:
C32H38O8NSmiles:
CC/C(=C(/c1ccc(OCC[NH+](C)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[NH+](C)C)cc1)c1cccc(O)c1)c1ccccc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.34 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 11 |
| MolWt: | 564.66 | Num_heavy_atoms: | 41 |
| TPSA: | 130.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD44701
Formula: C26H30O2N
Smiles:
CCC(=C(c1ccc(OCC[NH+](C)C)cc1)c1cccc(O)c1)c1ccccc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 388.53 | Num_heavy_atoms: | 29 |
| TPSA: | 33.9 | NumAromaticRings: | 3 |
