Glycoside
GD118850
Name:
[4-(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl)-3,5-dihydroxyphenyl]methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C35H48O22Smiles:
COc1cc(C(=O)OCc2cc(O)c(C3OC(CO)C(O)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3OC)c(O)c2)cc(OC)c1OAglycone:
COc1cc(C(=O)OCc2cc(O)cc(O)c2)cc(OC)c1OSugarmoiety:
COC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.63 |
| AlogP: | -4.0 | Num_rotatable_bonds: | 14 |
| MolWt: | 820.75 | Num_heavy_atoms: | 57 |
| TPSA: | 342.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD47556
Formula: C16H16O7
Smiles:
COc1cc(C(=O)OCc2cc(O)cc(O)c2)cc(OC)c1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 320.3 | Num_heavy_atoms: | 23 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
