Glycoside
GD136485
Name:
(2-hydroxy-6-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)methyl 2,6-dimethoxybenzoateFormula:
C28H36O16Smiles:
COc1cccc(OC)c1C(=O)OCc1c(O)cccc1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COc1cccc(OC)c1C(=O)OCc1c(O)cccc1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 11 |
| MolWt: | 628.58 | Num_heavy_atoms: | 44 |
| TPSA: | 243.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD51828
Formula: C16H16O6
Smiles:
COc1cccc(OC)c1C(=O)OCc1c(O)cccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
