Glycoside
GD143008
Name:
3,5-dihydroxy-2-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl 2-methylpropanoateFormula:
C16H28O12Smiles:
CC(C)C(=O)OC1C(O)C(CO)OC(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
CC(C)C(=O)OSugarmoiety:
OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | -4.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.39 | Num_heavy_atoms: | 28 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD00350
Formula: C4H8O2
Smiles:
CC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
