Glycoside
GD147309
Name:
Leucosceptoside BFormula:
C36H48O18Smiles:
COc1ccc(CCOC2CC(OC3OC(C)C(O)C(O)C3O)C(OC(=O)C=Cc3ccc(O)c(OC)c3)C(COC3OCC(O)(CO)C3O)O2)cc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.COc1ccc(CCO)cc1OSugarmoiety:
CC1OC(OC2CC(O)OC(COC3OCC(O)(CO)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.58 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 15 |
| MolWt: | 768.76 | Num_heavy_atoms: | 54 |
| TPSA: | 261.98 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD01182
Formula: C9H12O3
Smiles:
COc1ccc(CCO)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
