Glycoside
GD117089
Name:
NoneFormula:
C30H34O16Smiles:
CC1=CC2=C3[C](C=C(O)C=C3[OH+]C(c3cc(O)c(O)c(O)c3)=C2OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)O1Aglycone:
CC1=CC2=C3C(=CC(O)=CC3O1)[OH+]C(c1cc(O)c(O)c(O)c1)=C2OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.43 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 650.59 | Num_heavy_atoms: | 46 |
| TPSA: | 261.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD46630
Formula: C18H15O7
Smiles:
CC1=CC2=C3C(=CC(O)=CC3O1)[OH+]C(c1cc(O)c(O)c(O)c1)=C2O| HBA: | 7 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.11 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 343.31 | Num_heavy_atoms: | 25 |
| TPSA: | 123.18 | NumAromaticRings: | 1 |
