Glycoside
GD123043
Name:
NoneFormula:
C29H34O17Smiles:
CC(=O)OC1C(O)C(C)OC(OCC2OC(OC3=C(c4cc(O)c(O)c(O)c4)[OH+]C4=CC(O)=C[C](O)C4=C3)C(O)C(O)C2O)C1OAglycone:
OC1=CC(O)C2=CC(O)=C(c3cc(O)c(O)c(O)c3)[OH+]C2=C1Sugarmoiety:
CC(=O)OC1C(O)C(C)OC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.45 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 654.57 | Num_heavy_atoms: | 46 |
| TPSA: | 278.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD44981
Formula: C15H13O7
Smiles:
OC1=CC(O)C2=CC(O)=C(c3cc(O)c(O)c(O)c3)[OH+]C2=C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 305.26 | Num_heavy_atoms: | 22 |
| TPSA: | 134.18 | NumAromaticRings: | 1 |
