Glycoside
GD034554
Name:
NoneFormula:
C18H28O14N2S2Smiles:
CC(=O)OC[C@@H]1O[C@H](S(=O)(=O)N2CC[C@H](OS(N)(=O)=O)C2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.NS(=O)(=O)OC1CCN([S](=O)=O)C1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 560.56 | Num_heavy_atoms: | 36 |
| TPSA: | 221.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD06272
Formula: C4H9O5N2S2
Smiles:
NS(=O)(=O)OC1CCN([S](=O)=O)C1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 229.26 | Num_heavy_atoms: | 13 |
| TPSA: | 106.77 | NumAromaticRings: | 0 |
