Glycoside
GD149496
Name:
{3,4,5-trihydroxy-6-[(4-hydroxy-3-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-2,5-bis(hydroxymethyl)oxolan-2-yl)oxy]oxan-2-yl}methyl 3-(3,5-dimethoxy-4-methylphenyl)prop-2-enoateFormula:
C35H44O18Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3OC(=O)C=Cc3cc(OC)c(O)c(OC)c3)C(O)C(O)C2O)cc(OC)c1CAglycone:
COC(=O)C=Cc1cc(OC)c(C)c(OC)c1.COc1cc(C=CC(=O)O)cc(OC)c1OSugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.49 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 15 |
| MolWt: | 752.72 | Num_heavy_atoms: | 53 |
| TPSA: | 258.82 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD59774
Formula: C13H16O4
Smiles:
COC(=O)C=Cc1cc(OC)c(C)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 236.27 | Num_heavy_atoms: | 17 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
