Glycoside
GD012681
Name:
NoneFormula:
C21H29O8NSmiles:
CC(=Cc1ccc(O[C@@H]2O[C@H]([C@H](C)O)[C@H](O)[C@H]2O)c(O)c1)C(=O)N1CCC[C@H]1COAglycone:
CC(=Cc1ccc(O)c(O)c1)C(=O)N1CCCC1COSugarmoiety:
CC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 423.46 | Num_heavy_atoms: | 30 |
| TPSA: | 139.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD09538
Formula: C15H19O4N
Smiles:
CC(=Cc1ccc(O)c(O)c1)C(=O)N1CCCC1CO| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 277.32 | Num_heavy_atoms: | 20 |
| TPSA: | 81.0 | NumAromaticRings: | 1 |
