Glycoside
GD027841
Name:
NoneFormula:
C20H20O6N2SSmiles:
O=C(c1ccc2ccccc2c1)c1cnc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1Aglycone:
Nc1ncc(C(=O)c2ccc3ccccc3c2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.46 | Num_heavy_atoms: | 29 |
| TPSA: | 132.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD18252
Formula: C14H10ON2S
Smiles:
Nc1ncc(C(=O)c2ccc3ccccc3c2)s1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 254.31 | Num_heavy_atoms: | 18 |
| TPSA: | 55.98 | NumAromaticRings: | 3 |
