Glycoside
GD125201
Name:
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl]oxy}oxan-2-yl)methyl benzoateFormula:
C29H26O12Smiles:
COc1cc(O)c2c(=O)c(OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O)c(-c3ccc(O)cc3)oc2c1Aglycone:
COC(=O)c1ccccc1.COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 566.52 | Num_heavy_atoms: | 41 |
| TPSA: | 185.35 | NumAromaticRings: | 4 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD01882
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1| 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 |
