Glycoside
GD141108
Name:
[5-({6-[({3,4-dihydroxy-4-[(4-hydroxy-3,5-dimethoxybenzoyloxy)methyl]oxolan-2-yl}oxy)methyl]-4,5-dihydroxy-2-(3-methylbutoxy)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C39H54O22Smiles:
COc1cc(C(=O)OCC2(O)COC(OCC3OC(OCCC(C)C)C(OC4OCC(O)(COC(=O)c5cc(OC)c(O)c(OC)c5)C4O)C(O)C3O)C2O)cc(OC)c1OAglycone:
CC(C)CCO.COC(=O)c1cc(OC)c(O)c(OC)c1.COC(=O)c1cc(OC)c(O)c(OC)c1Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 19 |
| MolWt: | 874.84 | Num_heavy_atoms: | 61 |
| TPSA: | 306.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD22273
Formula: C5H12O
Smiles:
CC(C)CCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.15 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
