Glycoside
GD088105
Name:
NoneFormula:
C19H28O8N2SSmiles:
Cc1nc(CO[C@@H]2COC3(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC3)C2)cs1Aglycone:
Cc1nc(COC2COC3(CCNCC3)C2)cs1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 444.51 | Num_heavy_atoms: | 30 |
| TPSA: | 149.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD38590
Formula: C13H20O2N2S
Smiles:
Cc1nc(COC2COC3(CCNCC3)C2)cs1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.38 | Num_heavy_atoms: | 18 |
| TPSA: | 43.38 | NumAromaticRings: | 1 |
