Glycoside
GD127809
Name:
Helioside CFormula:
C40H54O23Smiles:
COc1cc(C=CC(=O)OC2C(COC3OCC(O)C(O)C3O)OC(OCCc3ccc(O)c(O)c3)C(OC3CC(O)C(O)CO3)C2OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(OC2C(O)C(COC3OCC(O)C(O)C3O)OC(O)C2OC2CC(O)C(O)CO2)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.62 |
| AlogP: | -3.78 | Num_rotatable_bonds: | 16 |
| MolWt: | 902.85 | Num_heavy_atoms: | 63 |
| TPSA: | 352.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
