Glycoside
GD140026
Name:
3-hydroxy-3-phenyl-N-sulfo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propanamine oxideFormula:
C15H21O10NS2Smiles:
O=S(=O)(O)[N+]([O-])=C(CC(O)c1ccccc1)SC1OC(CO)C(O)C(O)C1OAglycone:
O=S(=O)(O)[N+]([O-])=C(S)CC(O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 439.46 | Num_heavy_atoms: | 28 |
| TPSA: | 190.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD49823
Formula: C9H11O5NS2
Smiles:
O=S(=O)(O)[N+]([O-])=C(S)CC(O)c1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 277.32 | Num_heavy_atoms: | 17 |
| TPSA: | 100.67 | NumAromaticRings: | 1 |
