Glycoside
GD118012
Name:
methyl 6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylateFormula:
C22H22O12Smiles:
COC(=O)C1OC(Oc2cc3c(c(O)c2O)C(=O)CC(c2ccc(O)cc2)O3)C(O)C(O)C1OAglycone:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)c(O)c(O)c21Sugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.41 | Num_heavy_atoms: | 34 |
| TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD47125
Formula: C15H12O6
Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)c(O)c(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
