Glycoside
GD154694
Name:
NoneFormula:
C31H31O14Smiles:
COc1cc(C2=C(OC3OC(COC(=O)C=Cc4ccc([OH2+])cc4)C(O)C(O)C3O)C=C3C(O)=CC(O)=CC3O2)cc(O)c1OAglycone:
COC(=O)C=Cc1ccc([OH2+])cc1.COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3O2)cc(O)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.26 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 627.58 | Num_heavy_atoms: | 45 |
| TPSA: | 227.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD45655
Formula: C10H11O3
Smiles:
COC(=O)C=Cc1ccc([OH2+])cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 179.19 | Num_heavy_atoms: | 13 |
| TPSA: | 49.2 | NumAromaticRings: | 1 |
AD47695
Formula: C16H14O7
Smiles:
COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3O2)cc(O)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 119.61 | NumAromaticRings: | 1 |
