Glycoside
GD136530
Name:
{6-[3-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxyphenyl]-3,4,5-trihydroxyoxan-2-yl}methyl 4-hydroxybenzoateFormula:
C26H24O13Smiles:
O=C(OCC1OC(c2c(O)cc(O)c(C(=O)c3ccc(O)c(O)c3)c2O)C(O)C(O)C1O)c1ccc(O)cc1Aglycone:
COC(=O)c1ccc(O)cc1.O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.23 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 544.47 | Num_heavy_atoms: | 39 |
| TPSA: | 234.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD06661
Formula: C13H10O6
Smiles:
O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.22 | Num_heavy_atoms: | 19 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
