Glycoside
GD026903
Name:
NoneFormula:
C36H57O12N5Smiles:
CCC=CCCCCCCCCCCOC(=O)C1=CCN(C)[C@H]([C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H]2O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)C(=O)N1CAglycone:
CCC=CCCCCCCCCCCOC(=O)C1=CCN(C)C(CO)C(=O)N1C.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.72 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 19 |
| MolWt: | 751.88 | Num_heavy_atoms: | 53 |
| TPSA: | 239.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD17709
Formula: C23H40O4N2
Smiles:
CCC=CCCCCCCCCCCOC(=O)C1=CCN(C)C(CO)C(=O)N1C| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.74 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 14 |
| MolWt: | 408.58 | Num_heavy_atoms: | 29 |
| TPSA: | 70.08 | NumAromaticRings: | 0 |
