Glycoside
GD102715
Name:
NoneFormula:
C24H28O7N2SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)[C@@H]1CCC(=O)N1Cc1ccccc1Aglycone:
O=C(Nc1ccc(S)cc1)C1CCC(=O)N1Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 488.56 | Num_heavy_atoms: | 34 |
| TPSA: | 139.56 | NumAromaticRings: | 2 |
Unique Aglycone
AD43485
Formula: C18H18O2N2S
Smiles:
O=C(Nc1ccc(S)cc1)C1CCC(=O)N1Cc1ccccc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 326.42 | Num_heavy_atoms: | 23 |
| TPSA: | 49.41 | NumAromaticRings: | 2 |
