Glycoside
GD014874
Name:
NoneFormula:
C13H20O7N4Smiles:
C[C@H](N)CNC(C(=O)O)C1OC(n2ccc(=O)[nH]c2=O)C(O)C1OAglycone:
CC(N)CNCC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -3.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 344.32 | Num_heavy_atoms: | 24 |
| TPSA: | 179.9 | 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 |
AD10898
Formula: C5H12O2N2
Smiles:
CC(N)CNCC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 75.35 | NumAromaticRings: | 0 |
