Glycoside
GD058076
Name:
NoneFormula:
C16H17O6N3Smiles:
O=c1nc2n(C[C@@H](O)[C@@H](O)[C@H](O)CO)c3ccccc3cc-2c(=O)[nH]1Aglycone:
Cn1c2nc(=O)[nH]c(=O)c-2cc2ccccc21Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 347.33 | Num_heavy_atoms: | 25 |
| TPSA: | 148.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD29104
Formula: C12H9O2N3
Smiles:
Cn1c2nc(=O)[nH]c(=O)c-2cc2ccccc21| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 0 |
| MolWt: | 227.22 | Num_heavy_atoms: | 17 |
| TPSA: | 67.75 | NumAromaticRings: | 1 |
