Glycoside
GD091712
Name:
NoneFormula:
C19H26O6N4SSmiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(CSc3ccccc3)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
OCCn1cc(CSc2ccccc2)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 438.51 | Num_heavy_atoms: | 30 |
| TPSA: | 138.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD39993
Formula: C11H13ON3S
Smiles:
OCCn1cc(CSc2ccccc2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 235.31 | Num_heavy_atoms: | 16 |
| TPSA: | 50.94 | NumAromaticRings: | 2 |
