Glycoside
GD035745
Name:
NoneFormula:
C19H19O6N5Smiles:
Cc1nccn1-c1ccc(NC(=O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)cc1Aglycone:
Cc1nccn1-c1ccc(NC=O)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 413.39 | Num_heavy_atoms: | 30 |
| TPSA: | 151.47 | NumAromaticRings: | 3 |
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 |
AD08686
Formula: C11H11ON3
Smiles:
Cc1nccn1-c1ccc(NC=O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 201.23 | Num_heavy_atoms: | 15 |
| TPSA: | 46.92 | NumAromaticRings: | 2 |
