Glycoside
GD125487
Name:
6-{[(3-{[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoateFormula:
C32H38O19Smiles:
COc1cc(C=CC(=O)OC2OC(COC3OC(CO)C(O)C(O)C3OC(=O)C=Cc3cc(O)c(O)c(OC)c3)C(O)C(O)C2O)cc(O)c1OAglycone:
COc1cc(C=CC(=O)O)cc(O)c1O.COc1cc(C=CC(=O)O)cc(O)c1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 12 |
| MolWt: | 726.64 | Num_heavy_atoms: | 51 |
| TPSA: | 301.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD46190
Formula: C10H10O5
Smiles:
COc1cc(C=CC(=O)O)cc(O)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.19 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
