Glycoside
GD126542
Name:
2-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butanedioic acidFormula:
C16H26O15Smiles:
O=C(O)CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(=O)OAglycone:
O=C(O)CC(O)C(=O)OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | -5.44 | Num_rotatable_bonds: | 9 |
| MolWt: | 458.37 | Num_heavy_atoms: | 31 |
| TPSA: | 253.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD24291
Formula: C4H6O5
Smiles:
O=C(O)CC(O)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 134.09 | Num_heavy_atoms: | 9 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
