Glycoside
GD127591
Name:
{[(4-hydroxy-1-{[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene)amino]oxy}sulfonic acidFormula:
C10H19O10NS2Smiles:
O=S(=O)(O)ON=C(CCCO)SC1OC(O)C(O)C(O)C1COAglycone:
O=S(=O)(O)ON=C(S)CCCOSugarmoiety:
OCC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 377.39 | Num_heavy_atoms: | 23 |
| TPSA: | 186.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD51673
Formula: C4H9O5NS2
Smiles:
O=S(=O)(O)ON=C(S)CCCO| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 215.25 | Num_heavy_atoms: | 12 |
| TPSA: | 96.19 | NumAromaticRings: | 0 |
