Glycoside
GD032584
Name:
NoneFormula:
C21H33O9N7Smiles:
NCCCCCn1cc([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)nn1Aglycone:
NCCCCCn1cc(CO)nn1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | -3.96 | Num_rotatable_bonds: | 11 |
| MolWt: | 527.54 | Num_heavy_atoms: | 37 |
| TPSA: | 246.22 | NumAromaticRings: | 2 |
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 |
AD20880
Formula: C8H16ON4
Smiles:
NCCCCCn1cc(CO)nn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 184.24 | Num_heavy_atoms: | 13 |
| TPSA: | 76.96 | NumAromaticRings: | 1 |
