Glycoside
GD028384
Name:
NoneFormula:
C11H15O7N5Smiles:
CN(N=O)C(=O)NC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CNC(=O)N(C)N=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 329.27 | Num_heavy_atoms: | 23 |
| TPSA: | 166.32 | 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 |
AD04838
Formula: C3H7O2N3
Smiles:
CNC(=O)N(C)N=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 117.11 | Num_heavy_atoms: | 8 |
| TPSA: | 61.77 | NumAromaticRings: | 0 |
