Glycoside
GD133527
Name:
6-[4-(2-carboxyeth-1-en-1-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C15H16O10Smiles:
O=C(O)C=Cc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(O)c1Aglycone:
O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 356.28 | Num_heavy_atoms: | 25 |
| TPSA: | 173.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
