Glycoside
GD125215
Name:
3-({3,4-dihydroxy-6-[(2-hydroxypropoxy)carbonyl]-5-methyloxan-2-yl}oxy)-4,5-dihydroxy-6-methoxyoxane-2-carboxylic acidFormula:
C17H28O13Smiles:
COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O)C(O)C1OAglycone:
CC(O)COC=OSugarmoiety:
COC1OC(C(=O)O)C(OC2OC(O)C(C)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -3.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 440.4 | Num_heavy_atoms: | 30 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD50634
Formula: C4H8O3
Smiles:
CC(O)COC=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 104.1 | Num_heavy_atoms: | 7 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
