Glycoside

GD148924
Name:
[3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methyl 3,4,5-trimethoxybenzoateFormula:
C25H32O13Smiles:
COc1cc(OC2OC(COC(=O)c3cc(OC)c(OC)c(OC)c3)C(O)C(O)C2O)cc(OC)c1OCAglycone:
COC(=O)c1cc(OC)c(OC)c(OC)c1.COc1cc(O)cc(OC)c1OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 3 |
HBD: | 3 | FractionCSP3: | 0.48 |
AlogP: | 0.78 | Num_rotatable_bonds: | 11 |
MolWt: | 540.52 | Num_heavy_atoms: | 38 |
TPSA: | 160.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD07763
Formula: C9H12O4
Smiles:
COc1cc(O)cc(OC)c1OCHBA: | 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 |
AD09743
Formula: C11H14O5
Smiles:
COC(=O)c1cc(OC)c(OC)c(OC)c1HBA: | 5 | RingCount: | 1 |
HBD: | 0 | FractionCSP3: | 0.36 |
AlogP: | 1.5 | Num_rotatable_bonds: | 4 |
MolWt: | 226.23 | Num_heavy_atoms: | 16 |
TPSA: | 53.99 | NumAromaticRings: | 1 |