Glycoside

GD114832
Name:
[3,4,5-trihydroxy-6-(2,4,6-trimethoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoateFormula:
C22H26O13Smiles:
COc1cc(OC)c(OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)c(OC)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1cc(OC)c(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 3 |
HBD: | 6 | FractionCSP3: | 0.41 |
AlogP: | -0.13 | Num_rotatable_bonds: | 8 |
MolWt: | 498.44 | Num_heavy_atoms: | 35 |
TPSA: | 193.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1HBA: | 5 | RingCount: | 1 |
HBD: | 3 | FractionCSP3: | 0.12 |
AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
MolWt: | 184.15 | Num_heavy_atoms: | 13 |
TPSA: | 86.99 | NumAromaticRings: | 1 |
AD27253
Formula: C9H12O4
Smiles:
COc1cc(OC)c(O)c(OC)c1HBA: | 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 |