Glycoside
GD121301
Name:
ScrolepidosideFormula:
C32H42O16Smiles:
COc1ccc(C=CC(=O)OC2C(C)OC(OC3C=C(CO)C4C(OC5OC(CO)C(O)C(O)C5O)OC=CC34)C(O)C2O)cc1OCAglycone:
COc1ccc(C=CC(=O)O)cc1OC.OCC1=CC(O)C2C=COC(O)C12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 11 |
| MolWt: | 682.67 | Num_heavy_atoms: | 48 |
| TPSA: | 232.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD06320
Formula: C9H12O4
Smiles:
OCC1=CC(O)C2C=COC(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD09650
Formula: C11H12O4
Smiles:
COc1ccc(C=CC(=O)O)cc1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
