Glycoside
GD126364
Name:
E-6-O-P-Coumaroyl Scandoside Methyl Ester 10-O-Methyl Methyl EtherFormula:
C27H32O13Smiles:
COCC1=CC(OC(=O)C=Cc2ccc(O)cc2)C2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
COCC1=CC(OC(=O)C=Cc2ccc(O)cc2)C2C(C(=O)OC)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 564.54 | Num_heavy_atoms: | 40 |
| TPSA: | 190.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD51124
Formula: C21H22O8
Smiles:
COCC1=CC(OC(=O)C=Cc2ccc(O)cc2)C2C(C(=O)OC)=COC(O)C12| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.4 | Num_heavy_atoms: | 29 |
| TPSA: | 111.52 | NumAromaticRings: | 1 |
