Glycoside
GD125807
Name:
4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-4H-chromen-3-yl]oxy}-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C28H30O16Smiles:
CC(=O)OC1C(Oc2c(-c3ccc(O)cc3)oc3cc(OC4OCC(O)C(O)C4O)cc(O)c3c2=O)OC(CO)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 622.53 | Num_heavy_atoms: | 44 |
| TPSA: | 255.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
