Glycoside
GD139085
Name:
({[2-(1,4-dimethoxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino}oxy)sulfonic acidFormula:
C18H24O11N2S2Smiles:
COc1cccc2c1c(CC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O)cn2OCAglycone:
COc1cccc2c1c(CC(S)=NOS(=O)(=O)O)cn2OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 508.53 | Num_heavy_atoms: | 33 |
| TPSA: | 189.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD56092
Formula: C12H14O6N2S2
Smiles:
COc1cccc2c1c(CC(S)=NOS(=O)(=O)O)cn2OC| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 346.39 | Num_heavy_atoms: | 22 |
| TPSA: | 99.35 | NumAromaticRings: | 2 |
