Glycoside
GD153287
Name:
[3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[(5-methyl-2-oxo-2H-chromen-4-yl)oxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C31H34O15Smiles:
COc1cc(C=CC(=O)OCC2(O)COC(OCC3OC(Oc4cc(=O)oc5cccc(C)c45)C(O)C(O)C3O)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.Cc1cccc2oc(=O)cc(O)c12Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 10 |
| MolWt: | 646.6 | Num_heavy_atoms: | 46 |
| TPSA: | 224.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD29404
Formula: C10H8O3
Smiles:
Cc1cccc2oc(=O)cc(O)c12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 176.17 | Num_heavy_atoms: | 13 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
