Glycoside
GD030461
Name:
NoneFormula:
C10H13O7N5Smiles:
O=NNC(=O)NC[C@@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CNC(=O)NN=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 315.24 | Num_heavy_atoms: | 22 |
| TPSA: | 175.11 | 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 |
AD18084
Formula: C2H5O2N3
Smiles:
CNC(=O)NN=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 103.08 | Num_heavy_atoms: | 7 |
| TPSA: | 70.56 | NumAromaticRings: | 0 |
