Glycoside
GD151264
Name:
N-[5-(benzoyloxy)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene]-N-oxosulfamic acidFormula:
C18H25O11NS2Smiles:
O=C(OCCCCC(SC1OC(CO)C(O)C(O)C1O)=[N+]([O-])S(=O)(=O)O)c1ccccc1Aglycone:
O=C(OCCCCC(S)=[N+]([O-])S(=O)(=O)O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 9 |
| MolWt: | 495.53 | Num_heavy_atoms: | 32 |
| TPSA: | 196.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD60344
Formula: C12H15O6NS2
Smiles:
O=C(OCCCCC(S)=[N+]([O-])S(=O)(=O)O)c1ccccc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 333.39 | Num_heavy_atoms: | 21 |
| TPSA: | 106.74 | NumAromaticRings: | 1 |
