Glycoside
GD118888
Name:
6-[2,3-dihydroxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C21H22O13Smiles:
O=C(O)C1OC(Oc2cc(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c2O)C(O)C(O)C1OAglycone:
Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.38 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 482.39 | Num_heavy_atoms: | 34 |
| TPSA: | 226.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD47576
Formula: C15H14O7
Smiles:
Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.2 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 306.27 | Num_heavy_atoms: | 22 |
| TPSA: | 130.61 | NumAromaticRings: | 2 |
