Glycoside
GD010016
Name:
NoneFormula:
C15H15O6N4BrSmiles:
O=C(NC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)c1cccc(Br)n1Aglycone:
CNC(=O)c1cccc(Br)n1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 427.21 | Num_heavy_atoms: | 26 |
| TPSA: | 146.54 | 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 |
AD07791
Formula: C7H7ON2Br
Smiles:
CNC(=O)c1cccc(Br)n1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 215.05 | Num_heavy_atoms: | 11 |
| TPSA: | 41.99 | NumAromaticRings: | 1 |
