Glycoside
GD149884
Name:
{3,4-dihydroxy-6-[(4-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-2,5-bis(hydroxymethyl)-3-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl)oxy]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C52H64O28Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3(CO)OC(CO)C(OC(=O)C=Cc4cc(OC)c(O)c(OC)c4)C3OC(=O)C=Cc3cc(OC)c(OC)c(OC)c3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)cc(OC)c1OAglycone:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.COc1cc(C=CC(=O)O)cc(OC)c1O.COc1cc(C=CC(=O)O)cc(OC)c1OCSugarmoiety:
OCC1OC(OC2C(OC3(CO)OC(CO)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 24 |
| MolWt: | 1137.06 | Num_heavy_atoms: | 80 |
| TPSA: | 391.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD03982
Formula: C12H14O5
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | 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 |
AD17348
Formula: C12H14O5
Smiles:
COc1cc(C=CC(=O)O)cc(OC)c1OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
