Glycoside
GD103112
Name:
NoneFormula:
C22H29O7N3SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)c1cnn(CC2CCOCC2)c1Aglycone:
O=C(Nc1ccc(S)cc1)c1cnn(CC2CCOCC2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 479.56 | Num_heavy_atoms: | 33 |
| TPSA: | 146.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD43625
Formula: C16H19O2N3S
Smiles:
O=C(Nc1ccc(S)cc1)c1cnn(CC2CCOCC2)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 317.41 | Num_heavy_atoms: | 22 |
| TPSA: | 56.15 | NumAromaticRings: | 2 |
