Glycoside
GD095376
Name:
NoneFormula:
C20H28O8N4SSmiles:
CS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)N[C@H]4[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]4O)cn23)CC1Aglycone:
CS(=O)(=O)N1CCN(c2ccc3ccc(C(N)=O)cn23)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.53 | Num_heavy_atoms: | 33 |
| TPSA: | 164.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD40706
Formula: C14H18O3N4S
Smiles:
CS(=O)(=O)N1CCN(c2ccc3ccc(C(N)=O)cn23)CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 322.39 | Num_heavy_atoms: | 22 |
| TPSA: | 88.12 | NumAromaticRings: | 2 |
