Glycoside
GD148391
Name:
(3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl but-2-enoateFormula:
C26H26O10Smiles:
CC=CC(=O)OCC1OC(Oc2ccc3c(=O)c(-c4ccc(OC)cc4)coc3c2)C(O)C(O)C1OAglycone:
CC=CC(=O)OC.COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 498.48 | Num_heavy_atoms: | 36 |
| TPSA: | 144.89 | 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 |
AD08007
Formula: C16H12O4
Smiles:
COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 59.67 | NumAromaticRings: | 3 |
