Glycoside
GD143173
Name:
4,5-dihydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C33H40O18Smiles:
COc1cc(C=CC(=O)OC2C(OC(=O)C=Cc3cc(OC)c(O)c(OC)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)cc(OC)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: | 8 | FractionCSP3: | 0.45 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 13 |
| MolWt: | 724.67 | Num_heavy_atoms: | 51 |
| TPSA: | 269.82 | 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 |
AD03983
Formula: C11H12O5
Smiles:
COc1cc(C=CC(=O)O)cc(OC)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 224.21 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
