Glycoside
GD116517
Name:
1,3,6-trihydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,9a-dihydro-4aH-xanthen-9-oneFormula:
C25H30O16Smiles:
O=C1c2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2OC2C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C12Aglycone:
O=C1c2cc(O)c(O)cc2OC2C=C(O)C=C(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -3.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 586.5 | Num_heavy_atoms: | 41 |
| TPSA: | 276.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD46284
Formula: C13H10O6
Smiles:
O=C1c2cc(O)c(O)cc2OC2C=C(O)C=C(O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 0 |
| MolWt: | 262.22 | Num_heavy_atoms: | 19 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
