Glycoside
GD147844
Name:
3-{[6,6'-bis(hydroxymethyl)-[2,2'-bioxane]-3,3',4,4',5,5'-hexyl]oxy}-5,7-dihydroxy-2-{4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}-4H-chromen-4-oneFormula:
C39H50O25Smiles:
CC1OC(OCC2OC(Oc3ccc(-c4oc5cc(O)cc(O)c5c(=O)c4OC4(C5OC(CO)C(O)C(O)C5O)OC(CO)C(O)C(O)C4O)cc3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(C2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 7 |
| HBD: | 16 | FractionCSP3: | 0.62 |
| AlogP: | -6.71 | Num_rotatable_bonds: | 11 |
| MolWt: | 918.8 | Num_heavy_atoms: | 64 |
| TPSA: | 418.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
Sugarmoiety
SD09494
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(C2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1O