Glycoside
GD145456
Name:
6-{[(4,5-dihydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoateFormula:
C32H38O18Smiles:
COc1cc(C=CC(=O)OC2C(OCC3OC(OC(=O)C=Cc4cc(O)c(O)c(OC)c4)C(O)C(O)C3O)OC(CO)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)cc(O)c1O.COc1cc(C=CC(=O)O)ccc1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 12 |
| MolWt: | 710.64 | Num_heavy_atoms: | 50 |
| TPSA: | 280.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD46190
Formula: C10H10O5
Smiles:
COc1cc(C=CC(=O)O)cc(O)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.19 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
