Glycoside
GD018202
Name:
({[2-(4-methoxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino}oxy)sulfonic acidFormula:
C17H22O10N2S2Smiles:
COc1cccc2[nH]cc(CC(=NOS(=O)(=O)O)S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c12Aglycone:
COc1cccc2[nH]cc(CC(S)=NOS(=O)(=O)O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 478.5 | Num_heavy_atoms: | 31 |
| TPSA: | 191.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD12883
Formula: C11H12O5N2S2
Smiles:
COc1cccc2[nH]cc(CC(S)=NOS(=O)(=O)O)c12| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.36 | Num_heavy_atoms: | 20 |
| TPSA: | 100.98 | NumAromaticRings: | 2 |
