Glycoside
GD121692
Name:
(3,4,5-trihydroxy-6-{[3-(6-methoxy-2H-1,3-benzodioxol-5-yl)-2H-chromen-7-yl]oxy}oxan-2-yl)methyl acetateFormula:
C25H26O11Smiles:
COc1cc2c(cc1C1=Cc3ccc(OC4OC(COC(C)=O)C(O)C(O)C4O)cc3OC1)OCO2Aglycone:
COC(C)=O.COc1cc2c(cc1C1=Cc3ccc(O)cc3OC1)OCO2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 502.47 | Num_heavy_atoms: | 36 |
| TPSA: | 142.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD48997
Formula: C17H14O5
Smiles:
COc1cc2c(cc1C1=Cc3ccc(O)cc3OC1)OCO2| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 57.15 | NumAromaticRings: | 2 |
