Glycoside
GD149619
Name:
({[2-(4-hydroxy-3-methoxyphenyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino}oxy)sulfonic acidFormula:
C15H21O11NS2Smiles:
COc1cc(CC(=NOS(=O)(=O)O)SC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(CC(S)=NOS(=O)(=O)O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 455.46 | Num_heavy_atoms: | 29 |
| TPSA: | 195.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD59814
Formula: C9H11O6NS2
Smiles:
COc1cc(CC(S)=NOS(=O)(=O)O)ccc1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 293.32 | Num_heavy_atoms: | 18 |
| TPSA: | 105.42 | NumAromaticRings: | 1 |
