Glycoside
GD017448
Name:
NoneFormula:
C16H24O9N4Smiles:
NC[C@@H]1O[C@H](O[C@H](CNC=O)[C@@H]2C[C@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@H]1OAglycone:
O=CNCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | -4.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 416.39 | Num_heavy_atoms: | 29 |
| TPSA: | 198.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD12444
Formula: C11H15O6N3
Smiles:
O=CNCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 285.26 | Num_heavy_atoms: | 20 |
| TPSA: | 133.65 | NumAromaticRings: | 1 |
