Glycoside
GD157063
Name:
5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{4-[4-(4-hydroxy-3,5-dimethoxybenzoyl)-3-(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenoxy}-2-(hydroxymethyl)oxane-3,4-diolFormula:
C33H44O18Smiles:
COc1cc(C(=O)C2COC(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)c(OC)c3)C2CO)cc(OC)c1OAglycone:
COc1cc(C(=O)C2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 14 |
| MolWt: | 728.7 | Num_heavy_atoms: | 51 |
| TPSA: | 261.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD16417
Formula: C22H26O9
Smiles:
COc1cc(C(=O)C2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 434.44 | Num_heavy_atoms: | 31 |
| TPSA: | 123.91 | NumAromaticRings: | 2 |
