Glycoside
GD130561
Name:
3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C20H26O12Smiles:
O=C(C=Cc1ccc(O)cc1)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.42 | Num_heavy_atoms: | 32 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
