Glycoside
GD139483
Name:
N-[2-(1-methoxy-1H-indol-3-yl)-1-{[(3,4,5,6-tetrahydroxyoxan-2-yl)methyl]sulfanyl}ethylidene]sulfamic acidFormula:
C17H22O9N2S2Smiles:
COn1cc(CC(=NS(=O)(=O)O)SCC2OC(O)C(O)C(O)C2O)c2ccccc21Aglycone:
COn1cc(CC(=NS(=O)(=O)O)SC)c2ccccc21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.5 | Num_heavy_atoms: | 30 |
| TPSA: | 171.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD56245
Formula: C12H14O4N2S2
Smiles:
COn1cc(CC(=NS(=O)(=O)O)SC)c2ccccc21| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 314.39 | Num_heavy_atoms: | 20 |
| TPSA: | 80.89 | NumAromaticRings: | 2 |
