Glycoside
GD135298
Name:
Irilone-4'-O-[Beta-D-Glucopyranosyl-(1->6)-Beta-D-Glucopyranoside]Formula:
C28H30O16Smiles:
O=c1c(-c2ccc(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)cc2)coc2cc3c(c(O)c12)OCO3Aglycone:
O=c1c(-c2ccc(O)cc2)coc2cc3c(c(O)c12)OCO3Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 622.53 | Num_heavy_atoms: | 44 |
| TPSA: | 247.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD09750
Formula: C16H10O6
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc3c(c(O)c12)OCO3| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 298.25 | Num_heavy_atoms: | 22 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
