Glycoside
GD115611
Name:
(3,4,5-trihydroxy-6-{[4-hydroxy-2,5-bis(hydroxymethyl)-3-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]oxy}oxan-2-yl)methyl 3,4,5-trimethoxybenzoateFormula:
C34H44O19Smiles:
COc1cc(C=CC(=O)OC2C(O)C(CO)OC2(CO)OC2OC(COC(=O)c3cc(OC)c(OC)c(OC)c3)C(O)C(O)C2O)cc(OC)c1OCAglycone:
COC(=O)c1cc(OC)c(OC)c(OC)c1.COc1cc(C=CC(=O)O)cc(OC)c1OCSugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 16 |
| MolWt: | 756.71 | Num_heavy_atoms: | 53 |
| TPSA: | 257.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD09743
Formula: C11H14O5
Smiles:
COC(=O)c1cc(OC)c(OC)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 226.23 | Num_heavy_atoms: | 16 |
| TPSA: | 53.99 | 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 |
