Glycoside
GD014240
Name:
NoneFormula:
C21H28O13N2S2Smiles:
COC(=O)[C@@H]1O[C@H](S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
NS(=O)(=O)c1ccc(CCN[S](=O)=O)cc1Sugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 580.59 | Num_heavy_atoms: | 38 |
| TPSA: | 220.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD02009
Formula: C8H11O4N2S2
Smiles:
NS(=O)(=O)c1ccc(CCN[S](=O)=O)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 263.32 | Num_heavy_atoms: | 16 |
| TPSA: | 106.33 | NumAromaticRings: | 1 |
