Glycoside
GD131348
Name:
4,5-dihydroxy-2-({7'-hydroxy-2H,2'H-[8,8'-bichromene]-2,2'-diyl}oxy)-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C26H22O12Smiles:
CC(=O)OC1C(Oc2ccc3ccc(=O)oc3c2-c2c(O)ccc3ccc(=O)oc23)OC(CO)C(O)C1OAglycone:
O=c1ccc2ccc(O)c(-c3c(O)ccc4ccc(=O)oc34)c2o1Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 526.45 | Num_heavy_atoms: | 38 |
| TPSA: | 186.1 | NumAromaticRings: | 4 |
Unique Aglycone
AD20510
Formula: C18H10O6
Smiles:
O=c1ccc2ccc(O)c(-c3c(O)ccc4ccc(=O)oc34)c2o1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 322.27 | Num_heavy_atoms: | 24 |
| TPSA: | 100.88 | NumAromaticRings: | 4 |
