Glycoside
GD157721
Name:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(1-{2-hydroxy-6-[(4-hydroxyphenyl)methoxy]-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl}-1-oxopropan-2-yl)-4H-chromen-4-oneFormula:
C37H34O16Smiles:
CC(C(=O)c1c(O)cc(OC2OC(CO)C(O)C(O)C2O)cc1OCc1ccc(O)cc1)c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12Aglycone:
CC(C(=O)c1c(O)cc(O)cc1OCc1ccc(O)cc1)c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.24 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 10 |
| MolWt: | 734.66 | Num_heavy_atoms: | 53 |
| TPSA: | 277.27 | NumAromaticRings: | 5 |
Unique Aglycone
AD62333
Formula: C31H24O11
Smiles:
CC(C(=O)c1c(O)cc(O)cc1OCc1ccc(O)cc1)c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.1 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 572.52 | Num_heavy_atoms: | 42 |
| TPSA: | 198.12 | NumAromaticRings: | 5 |
