Glycoside
GD125321
Name:
NoneFormula:
C27H32O15Smiles:
COc1cc(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C=C3[C](O)C=C(O)C=C3[OH+]2)ccc1OAglycone:
COc1cc(C2=C(O)C=C3C(=CC(O)=CC3O)[OH+]2)ccc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 596.54 | Num_heavy_atoms: | 42 |
| TPSA: | 241.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD48107
Formula: C16H15O6
Smiles:
COc1cc(C2=C(O)C=C3C(=CC(O)=CC3O)[OH+]2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 303.29 | Num_heavy_atoms: | 22 |
| TPSA: | 102.95 | NumAromaticRings: | 1 |
