Glycoside
GD146562
Name:
{3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4-oxo-4H-chromen-7-yl]oxan-2-yl}methyl 3,4,5-trihydroxybenzoateFormula:
C29H26O14Smiles:
COc1c(-c2ccc(O)cc2)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)cc2)oc2cccc(O)c2c1=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.24 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 598.51 | Num_heavy_atoms: | 43 |
| TPSA: | 236.81 | 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 |
AD57326
Formula: C16H12O5
Smiles:
COc1c(-c2ccc(O)cc2)oc2cccc(O)c2c1=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
