Glycoside
GD118448
Name:
(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methoxy}oxolan-3-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C29H36O16Smiles:
COc1cc(OC2OC(COC3OCC(O)(COC(=O)C=Cc4ccc(O)c(O)c4)C3O)C(O)C(O)C2O)cc(OC)c1OCAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COc1cc(O)cc(OC)c1OCSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 12 |
| MolWt: | 640.59 | Num_heavy_atoms: | 45 |
| TPSA: | 232.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD07763
Formula: C9H12O4
Smiles:
COc1cc(O)cc(OC)c1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 47.92 | NumAromaticRings: | 1 |
