Glycoside
GD116051
Name:
{6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-7-yl]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4,5-trihydroxybenzoateFormula:
C29H26O15Smiles:
COc1c(-c2ccc(O)c(O)c2)oc2cc(C3OC(COC(=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C3O)cc(O)c2c1=OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1c(-c2ccc(O)c(O)c2)oc2cccc(O)c2c1=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.24 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 614.51 | Num_heavy_atoms: | 44 |
| TPSA: | 257.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD46023
Formula: C16H12O6
Smiles:
COc1c(-c2ccc(O)c(O)c2)oc2cccc(O)c2c1=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
