Glycoside
GD157490
Name:
1,1',3',4,6,6',7',8-octahydroxy-2'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H,9'H-[2,4'-bixanthene]-9,9'-dioneFormula:
C32H24O18Smiles:
O=c1c2cc(O)c(O)cc2oc2c(-c3cc(O)c4oc5cc(O)cc(O)c5c(=O)c4c3O)c(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c12Aglycone:
O=c1c2cc(O)c(O)cc2oc2c(-c3cc(O)c4oc5cc(O)cc(O)c5c(=O)c4c3O)c(O)c(O)c(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.19 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 696.53 | Num_heavy_atoms: | 50 |
| TPSA: | 321.64 | NumAromaticRings: | 6 |
Unique Aglycone
AD62257
Formula: C26H14O13
Smiles:
O=c1c2cc(O)c(O)cc2oc2c(-c3cc(O)c4oc5cc(O)cc(O)c5c(=O)c4c3O)c(O)c(O)c(O)c12| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.0 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 534.39 | Num_heavy_atoms: | 39 |
| TPSA: | 242.49 | NumAromaticRings: | 6 |
