Glycoside
GD139552
Name:
{[(2-phenyl-1-{[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene)amino]oxy}sulfonic acidFormula:
C14H19O9NS2Smiles:
O=S(=O)(O)ON=C(Cc1ccccc1)SC1OC(O)C(O)C(O)C1COAglycone:
O=S(=O)(O)ON=C(S)Cc1ccccc1Sugarmoiety:
OCC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 409.44 | Num_heavy_atoms: | 26 |
| TPSA: | 166.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD06183
Formula: C8H9O4NS2
Smiles:
O=S(=O)(O)ON=C(S)Cc1ccccc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 247.3 | Num_heavy_atoms: | 15 |
| TPSA: | 75.96 | NumAromaticRings: | 1 |
