Glycoside
GD119710
Name:
(3,4,5-trihydroxy-6-{[4-hydroxy-9-(hydroxymethyl)-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0³,â¹]nonan-1-yl]oxy}oxan-2-yl)methyl 3,4,5-trihydroxybenzoateFormula:
C23H28O14Smiles:
CC12CC(O)C3CC1(OC1OC(COC(=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C1O)C3(CO)C(=O)O2Aglycone:
CC12CC(O)C3CC1(O)C3(CO)C(=O)O2.COC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 528.46 | Num_heavy_atoms: | 37 |
| TPSA: | 232.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 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 |
AD48015
Formula: C10H14O5
Smiles:
CC12CC(O)C3CC1(O)C3(CO)C(=O)O2| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
