Glycoside
GD156264
Name:
{3,4,5-trihydroxy-6-[3-hydroxy-2-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)phenoxy]oxan-2-yl}methyl but-2-enoateFormula:
C26H26O12Smiles:
CC=CC(=O)OCC1OC(Oc2cccc(O)c2-c2cc(=O)c3c(O)cc(OC)cc3o2)C(O)C(O)C1OAglycone:
CC=CC(=O)OC.COc1cc(O)c2c(=O)cc(-c3c(O)cccc3O)oc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 530.48 | Num_heavy_atoms: | 38 |
| TPSA: | 185.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD02571
Formula: C5H8O2
Smiles:
CC=CC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD49553
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(=O)cc(-c3c(O)cccc3O)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 |
