Glycoside
GD151641
Name:
1,1',3,4',5,8'-hexahydroxy-6'-methoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6,7,8,9-tetrahydro-5H,9'H-[2,2'-bixanthene]-9,9'-dioneFormula:
C33H30O17Smiles:
COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)cc5oc6c(c(=O)c5c4O)C(OC4OC(CO)C(O)C(O)C4O)CCC6O)cc(O)c3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)cc5oc6c(c(=O)c5c4O)C(O)CCC6O)cc(O)c3oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.33 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 698.59 | Num_heavy_atoms: | 50 |
| TPSA: | 290.41 | NumAromaticRings: | 5 |
Unique Aglycone
AD60452
Formula: C27H20O12
Smiles:
COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)cc5oc6c(c(=O)c5c4O)C(O)CCC6O)cc(O)c3oc2c1| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.19 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 536.45 | Num_heavy_atoms: | 39 |
| TPSA: | 211.26 | NumAromaticRings: | 5 |
