Glycoside
GD150171
Name:
NoneFormula:
C37H41O19Smiles:
COc1cc(C2=C(OC3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)C=C3C(OC4OC(C[OH2+])C(O)C(O)C4O)=CC(O)=CC3O2)cc(O)c1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3O2)cc(O)c1OSugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.38 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 11 |
| MolWt: | 789.72 | Num_heavy_atoms: | 56 |
| TPSA: | 306.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | 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 |
