Glycoside
GD138027
Name:
6-{[3-(3,4-dihydroxyphenyl)prop-2-en-1-yl]oxy}-4-({5-[(6-ethyl-3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-5-hydroxy-2-(hydroxymethyl)oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C37H48O19Smiles:
CCC1OC(OC2C(C)OC(OC3C(O)C(OCC=Cc4ccc(O)c(O)c4)OC(CO)C3OC(=O)C=Cc3ccc(O)c(O)c3)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.OCC=Cc1ccc(O)c(O)c1Sugarmoiety:
CCC1OC(OC2C(C)OC(OC3C(O)C(O)OC(CO)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.54 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 13 |
| MolWt: | 796.77 | Num_heavy_atoms: | 56 |
| TPSA: | 304.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD53742
Formula: C9H10O3
Smiles:
OCC=Cc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
