Glycoside
GD149259
Name:
({[2-(4-hydroxy-1-methyl-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino}oxy)sulfonic acidFormula:
C17H22O10N2S2Smiles:
Cn1cc(CC(=NOS(=O)(=O)O)SC2OC(CO)C(O)C(O)C2O)c2c(O)cccc21Aglycone:
Cn1cc(CC(S)=NOS(=O)(=O)O)c2c(O)cccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.5 | Num_heavy_atoms: | 31 |
| TPSA: | 191.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD59694
Formula: C11H12O5N2S2
Smiles:
Cn1cc(CC(S)=NOS(=O)(=O)O)c2c(O)cccc21| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.36 | Num_heavy_atoms: | 20 |
| TPSA: | 101.12 | NumAromaticRings: | 2 |
