Glycoside
GD032764
Name:
NoneFormula:
C20H30O10N4Smiles:
O=C(NC[C@@H]1O[C@H](OC[C@@H]2O[C@H](Cn3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@@H]1CCCN1Aglycone:
CNC(=O)C1CCCN1.Cn1ccc(=O)[nH]c1=OSugarmoiety:
OC1OC(COC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.75 |
| AlogP: | -4.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 486.48 | Num_heavy_atoms: | 34 |
| TPSA: | 204.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD00607
Formula: C5H6O2N2
Smiles:
Cn1ccc(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 54.86 | NumAromaticRings: | 1 |
AD08252
Formula: C6H12ON2
Smiles:
CNC(=O)C1CCCN1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 128.18 | Num_heavy_atoms: | 9 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
