Glycoside
GD103638
Name:
NoneFormula:
C22H23O7N3SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)c1cc(=O)n(-c2ccccc2)[nH]1Aglycone:
O=C(Nc1ccc(S)cc1)c1cc(=O)n(-c2ccccc2)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.27 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 473.51 | Num_heavy_atoms: | 33 |
| TPSA: | 157.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD43842
Formula: C16H13O2N3S
Smiles:
O=C(Nc1ccc(S)cc1)c1cc(=O)n(-c2ccccc2)[nH]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 311.37 | Num_heavy_atoms: | 22 |
| TPSA: | 66.89 | NumAromaticRings: | 3 |
