Glycoside
GD084205
Name:
NoneFormula:
C17H19O7N3SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)c1ccc(=O)[nH]n1Aglycone:
O=C(Nc1ccc(S)cc1)c1ccc(=O)[nH]n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 409.42 | Num_heavy_atoms: | 28 |
| TPSA: | 165.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD37586
Formula: C11H9O2N3S
Smiles:
O=C(Nc1ccc(S)cc1)c1ccc(=O)[nH]n1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 247.28 | Num_heavy_atoms: | 17 |
| TPSA: | 74.85 | NumAromaticRings: | 2 |
