Glycoside
GD139157
Name:
(6-{[5,6-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C37H38O18Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(O)c(OC4OC(COC(=O)C=Cc5ccc(O)cc5)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)cc3o2)cc1Aglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1Sugarmoiety:
OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.35 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 770.69 | Num_heavy_atoms: | 55 |
| TPSA: | 284.73 | NumAromaticRings: | 4 |
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 |
AD10473
Formula: C16H12O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1| 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 |
