Glycoside
GD139132
Name:
2-[3-(4-{[4,5-dihydroxy-6-methyl-3-(sulfooxy)oxan-2-yl]oxy}-3-hydroxyphenyl)prop-2-enamido]ethane-1-sulfonic acidFormula:
C17H23O13NS2Smiles:
CC1OC(Oc2ccc(C=CC(O)=NCCS(=O)(=O)O)cc2O)C(OS(=O)(=O)O)C(O)C1OAglycone:
O=S(=O)(O)CCN=C(O)C=Cc1ccc(O)c(O)c1.O=S(=O)(O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 513.5 | Num_heavy_atoms: | 33 |
| TPSA: | 229.71 | 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 |
AD50975
Formula: C11H13O6NS
Smiles:
O=S(=O)(O)CCN=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 287.29 | Num_heavy_atoms: | 19 |
| TPSA: | 127.42 | NumAromaticRings: | 1 |
