Glycoside
GD157213
Name:
Scorzocreticoside IiFormula:
C28H34O14Smiles:
COc1ccc(C2Cc3cc(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)c3C(=O)O2)cc1Aglycone:
COc1ccc(C2Cc3cc(O)cc(O)c3C(=O)O2)cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 594.57 | Num_heavy_atoms: | 42 |
| TPSA: | 214.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD47595
Formula: C16H14O5
Smiles:
COc1ccc(C2Cc3cc(O)cc(O)c3C(=O)O2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
