Glycoside
GD155779
Name:
[4,5-dihydroxy-2-(hydroxymethyl)-6-[(3,4,5-trimethoxyphenyl)methoxy]oxan-3-yl]oxidanesulfonic acidFormula:
C16H24O12SSmiles:
COc1cc(COC2OC(CO)C(OS(=O)(=O)O)C(O)C2O)cc(OC)c1OCAglycone:
COc1cc(CO)cc(OC)c1OC.O=S(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 440.42 | Num_heavy_atoms: | 29 |
| TPSA: | 170.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD18475
Formula: C10H14O4
Smiles:
COc1cc(CO)cc(OC)c1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 47.92 | NumAromaticRings: | 1 |
