Glycoside
GD142770
Name:
2-phenylethenyl 2-hydroxy-2-methoxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetateFormula:
C24H28O11Smiles:
COc1cc(C(O)(OC)C(=O)OC=Cc2ccccc2)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C(O)(OC)C(=O)OC=Cc2ccccc2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 492.48 | Num_heavy_atoms: | 35 |
| TPSA: | 164.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD57448
Formula: C18H18O6
Smiles:
COc1cc(C(O)(OC)C(=O)OC=Cc2ccccc2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
