Glycoside
GD114538
Name:
2-({4,5-dihydroxy-2-[2-hydroxy-4-(propan-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H32O12Smiles:
CC(C)c1ccc(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c(O)c1Aglycone:
CC(C)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -2.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 476.48 | Num_heavy_atoms: | 33 |
| TPSA: | 198.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD45123
Formula: C9H12O2
Smiles:
CC(C)c1ccc(O)c(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.19 | Num_heavy_atoms: | 11 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
