Glycoside
GD156452
Name:
2-[4,5-dihydroxy-2-(5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)phenoxy]-3,5-dihydroxyoxan-4-yl acetateFormula:
C28H30O17Smiles:
CC(=O)OC1C(O)COC(Oc2cc(O)c(O)cc2-c2cc(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4O)cc3o2)C1OAglycone:
O=c1cc(-c2cc(O)c(O)cc2O)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(O)COC(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.43 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 638.53 | Num_heavy_atoms: | 45 |
| TPSA: | 275.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD44882
Formula: C15H10O7
Smiles:
O=c1cc(-c2cc(O)c(O)cc2O)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
