Glycoside
GD008909
Name:
NoneFormula:
C44H58O12N4Smiles:
CNC(=O)[C@@H](NC(=O)[C@@H](OCc1ccc(C2=C(O)C(=O)CCC2)cc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccc(C2=C(O)C(=O)CCC2)cc1)C(=O)N[C@@H](C(=O)NC)C(C)C)C(C)CAglycone:
CNC(=O)C(N)C(C)C.CNC(=O)C(N)C(C)C.Cc1ccc(C2=C(O)C(=O)CCC2)cc1.Cc1ccc(C2=C(O)C(=O)CCC2)cc1Sugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 19 |
| MolWt: | 834.96 | Num_heavy_atoms: | 60 |
| TPSA: | 249.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD00511
Formula: C6H14ON2
Smiles:
CNC(=O)C(N)C(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
AD07056
Formula: C13H14O2
Smiles:
Cc1ccc(C2=C(O)C(=O)CCC2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.25 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
