Glycoside
GD143690
Name:
NoneFormula:
C40H43O22Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3=C(c4ccc(O)c(O)c4)OC4C=C([OH2+])C=C(OC5OC(COC(=O)CC(=O)O)C(O)C(O)C5O)C4=C3)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COC(=O)CC(=O)O.OC1=CC([OH2+])=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C12Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.38 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 14 |
| MolWt: | 875.76 | Num_heavy_atoms: | 62 |
| TPSA: | 350.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD45113
Formula: C15H13O6
Smiles:
OC1=CC([OH2+])=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 289.26 | Num_heavy_atoms: | 21 |
| TPSA: | 113.05 | NumAromaticRings: | 1 |
