Glycoside
GD142579
Name:
5-hydroxy-1,7-bis(3-methoxy-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)hepta-1,4,6-trien-3-oneFormula:
C45H60O26Smiles:
COc1cc(C=CC(=O)C=C(O)C=Cc2ccc(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c(OC)c2)ccc1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COc1cc(C=CC(=O)C=C(O)C=Cc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.58 |
| AlogP: | -5.55 | Num_rotatable_bonds: | 19 |
| MolWt: | 1016.95 | Num_heavy_atoms: | 71 |
| TPSA: | 412.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD14380
Formula: C21H20O6
Smiles:
COc1cc(C=CC(=O)C=C(O)C=Cc2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 368.39 | Num_heavy_atoms: | 27 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
