Glycoside
GD120074
Name:
6-{[2-(3,5-dihydroxy-4-methoxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C22H24O13Smiles:
COc1c(O)cc(C2Oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(O)c3CC2O)cc1OAglycone:
COc1c(O)cc(C2Oc3cc(O)cc(O)c3CC2O)cc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.41 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 496.42 | Num_heavy_atoms: | 35 |
| TPSA: | 215.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD47941
Formula: C16H16O7
Smiles:
COc1c(O)cc(C2Oc3cc(O)cc(O)c3CC2O)cc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 320.3 | Num_heavy_atoms: | 23 |
| TPSA: | 119.61 | NumAromaticRings: | 2 |
