Glycoside
GD150921
Name:
1-oxo-2,4,5,6-tetrakis(3,4,5-trihydroxybenzoyloxy)hexan-3-yl 3,4,5-trihydroxybenzoateFormula:
C41H32O26Smiles:
O=CC(OC(=O)c1cc(O)c(O)c(O)c1)C(OC(=O)c1cc(O)c(O)c(O)c1)C(OC(=O)c1cc(O)c(O)c(O)c1)C(COC(=O)c1cc(O)c(O)c(O)c1)OC(=O)c1cc(O)c(O)c(O)c1Aglycone:
O=Cc1cc(O)c(O)c(O)c1.O=Cc1cc(O)c(O)c(O)c1.O=Cc1cc(O)c(O)c(O)c1.O=Cc1cc(O)c(O)c(O)c1.O=Cc1cc(O)c(O)c(O)c1Sugarmoiety:
O=CC(OO)C(OO)C(OO)C(COO)OOOther Identifiers
Properties
| HBA: | 26 | RingCount: | 5 |
| HBD: | 15 | FractionCSP3: | 0.12 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 15 |
| MolWt: | 940.68 | Num_heavy_atoms: | 67 |
| TPSA: | 452.02 | NumAromaticRings: | 5 |
Unique Aglycone
AD02035
Formula: C7H6O4
Smiles:
O=Cc1cc(O)c(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
