Glycoside
GD081246
Name:
NoneFormula:
C17H20O8N4Smiles:
CCOC(=O)c1cnn(-c2cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)ccn2)c1Aglycone:
CCOC(=O)c1cnn(-c2cc(N)ccn2)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 408.37 | Num_heavy_atoms: | 29 |
| TPSA: | 184.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD36627
Formula: C11H12O2N4
Smiles:
CCOC(=O)c1cnn(-c2cc(N)ccn2)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 232.24 | Num_heavy_atoms: | 17 |
| TPSA: | 83.03 | NumAromaticRings: | 2 |
