Glycoside
GD141601
Name:
3-ethenyl-4-(2-hydroxy-2-sulfoethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acidFormula:
C16H24O13SSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(O)S(=O)(=O)OAglycone:
C=CC1C(O)OC=C(C(=O)O)C1CC(O)S(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | -2.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 456.42 | Num_heavy_atoms: | 30 |
| TPSA: | 220.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD57032
Formula: C10H14O8S
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CC(O)S(=O)(=O)O| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 294.28 | Num_heavy_atoms: | 19 |
| TPSA: | 141.36 | NumAromaticRings: | 0 |
