Glycoside
GD145109
Name:
(6-{[2,5-bis(hydroxymethyl)-3,4-bis({[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy})oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoateFormula:
C48H58O23Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3(CO)OC(CO)C(OC(=O)C=Cc4cc(OC)c(OC)c(OC)c4)C3OC(=O)C=Cc3cc(OC)c(OC)c(OC)c3)C(O)C(O)C2O)cc(OC)c1OCAglycone:
COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1.COc1cc(C=CC(=O)O)cc(OC)c1OC.COc1cc(C=CC(=O)O)cc(OC)c1OCSugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 23 |
| MolWt: | 1002.97 | Num_heavy_atoms: | 71 |
| TPSA: | 290.81 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD17795
Formula: C13H16O5
Smiles:
COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 252.27 | Num_heavy_atoms: | 18 |
| TPSA: | 53.99 | NumAromaticRings: | 1 |
