Glycoside
GD105978
Name:
NoneFormula:
C21H21O10N3SSmiles:
CN1C(C(=O)Nc2ccccn2)=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc2S1(=O)=OAglycone:
CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 507.48 | Num_heavy_atoms: | 35 |
| TPSA: | 195.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD44095
Formula: C15H13O4N3S
Smiles:
CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 331.35 | Num_heavy_atoms: | 23 |
| TPSA: | 99.6 | NumAromaticRings: | 2 |
