Glycoside
GD108128
Name:
NoneFormula:
C27H23O10N3Smiles:
O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.19 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 549.49 | Num_heavy_atoms: | 40 |
| TPSA: | 204.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD44404
Formula: C21H15O4N3
Smiles:
O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 373.37 | Num_heavy_atoms: | 28 |
| TPSA: | 108.47 | NumAromaticRings: | 4 |
