Glycoside
GD095357
Name:
NoneFormula:
C19H28O10N2SSmiles:
COC(=O)c1cc(C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc(N(C)S(C)(=O)=O)c1Aglycone:
COC(=O)c1cc(C(=O)NCCO)cc(N(C)S(C)(=O)=O)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 476.5 | Num_heavy_atoms: | 32 |
| TPSA: | 171.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD40699
Formula: C13H18O6N2S
Smiles:
COC(=O)c1cc(C(=O)NCCO)cc(N(C)S(C)(=O)=O)c1| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 330.36 | Num_heavy_atoms: | 22 |
| TPSA: | 113.01 | NumAromaticRings: | 1 |
