Glycoside
GD135312
Name:
NoneFormula:
C28H35O16Smiles:
COc1cc(C2=C(OC3OC(CO)C(O)C(O)C3OC3OC(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:
OCC1OC(O)C(OC2OC(C[OH2+])C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.5 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 627.57 | Num_heavy_atoms: | 44 |
| TPSA: | 260.35 | 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 |
