Glycoside
GD034295
Name:
NoneFormula:
C17H17O6N5Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1-n1cc(-c2ccccc2)nn1Aglycone:
O=c1[nH]cc(-n2cc(-c3ccccc3)nn2)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 387.35 | Num_heavy_atoms: | 28 |
| TPSA: | 155.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD21814
Formula: C12H9O2N5
Smiles:
O=c1[nH]cc(-n2cc(-c3ccccc3)nn2)c(=O)[nH]1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 255.24 | Num_heavy_atoms: | 19 |
| TPSA: | 96.43 | NumAromaticRings: | 3 |
