Glycoside
GD103316
Name:
NoneFormula:
C21H28O7N2SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)C1=NOC2(CCCCC2)C1Aglycone:
O=C(Nc1ccc(S)cc1)C1=NOC2(CCCCC2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.53 | Num_heavy_atoms: | 31 |
| TPSA: | 140.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD43730
Formula: C15H18O2N2S
Smiles:
O=C(Nc1ccc(S)cc1)C1=NOC2(CCCCC2)C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 290.39 | Num_heavy_atoms: | 20 |
| TPSA: | 50.69 | NumAromaticRings: | 1 |
