Glycoside
GD090765
Name:
NoneFormula:
C18H24O8N2SSmiles:
O=C(CCN1CCOC1=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
O=C(CCN1CCOC1=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 428.46 | Num_heavy_atoms: | 29 |
| TPSA: | 148.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD39514
Formula: C12H14O3N2S
Smiles:
O=C(CCN1CCOC1=O)Nc1ccc(S)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 266.32 | Num_heavy_atoms: | 18 |
| TPSA: | 58.64 | NumAromaticRings: | 1 |
