Glycoside
GD114546
Name:
NoneFormula:
C34H44O21Smiles:
COc1cc(C2=C(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C=C3[C](C=C(O)C=C3OC3OC(CO)C(O)C(O)C3O)[OH+]2)cc(OC)c1OAglycone:
COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3[OH+]2)cc(OC)c1OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.56 |
| AlogP: | -3.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 788.71 | Num_heavy_atoms: | 55 |
| TPSA: | 329.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD45128
Formula: C17H17O7
Smiles:
COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3[OH+]2)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 333.32 | Num_heavy_atoms: | 24 |
| TPSA: | 112.18 | NumAromaticRings: | 1 |
