Glycoside
GD141113
Name:
NoneFormula:
C22H25O11Smiles:
COc1cc(C2=C(OC3OC(C[OH2+])C(O)C(O)C3O)C=C3C(O)=CC(O)=CC3O2)ccc1OAglycone:
COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3O2)ccc1OSugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.36 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 465.43 | Num_heavy_atoms: | 33 |
| TPSA: | 181.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD45656
Formula: C16H14O6
Smiles:
COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3O2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 99.38 | NumAromaticRings: | 1 |
