Glycoside
GD127554
Name:
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C31H30O13Smiles:
COc1cc(C2CC(=O)c3c(O)cc(OC4OC(COC(=O)C=Cc5ccc(O)cc5)C(O)C(O)C4O)cc3O2)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 610.57 | Num_heavy_atoms: | 44 |
| TPSA: | 201.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD04775
Formula: C16H14O6
Smiles:
COc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
