Glycoside
GD032355
Name:
ITOSIDE FFormula:
C27H26O11Smiles:
O=C(O[C@@H]1[C@H](O)[C@H](Oc2ccc(O)cc2COC(=O)c2ccccc2O)O[C@H](CO)[C@H]1O)c1ccccc1Aglycone:
O=C(O)c1ccccc1.O=C(OCc1cc(O)ccc1O)c1ccccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 526.49 | Num_heavy_atoms: | 38 |
| TPSA: | 172.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00706
Formula: C14H12O5
Smiles:
O=C(OCc1cc(O)ccc1O)c1ccccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.25 | Num_heavy_atoms: | 19 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
