Glycoside
GD154205
Name:
{6-[2,6-dimethoxy-4-(prop-1-en-1-yl)phenoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acidFormula:
C17H24O11SSmiles:
CC=Cc1cc(OC)c(OC2OC(CO)C(OS(=O)(=O)O)C(O)C2O)c(OC)c1Aglycone:
CC=Cc1cc(OC)c(O)c(OC)c1.O=S(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 436.44 | Num_heavy_atoms: | 29 |
| TPSA: | 161.21 | 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 |
AD32217
Formula: C11H14O3
Smiles:
CC=Cc1cc(OC)c(O)c(OC)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.23 | Num_heavy_atoms: | 14 |
| TPSA: | 38.69 | NumAromaticRings: | 1 |
