Glycoside
GD142903
Name:
3-hydroxy-4-oxo-4-[(4,5,6-trihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]butanoic acidFormula:
C16H26O15Smiles:
O=C(O)CC(O)C(=O)OCC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)C(O)CC(=O)OSugarmoiety:
OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | -6.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 458.37 | Num_heavy_atoms: | 31 |
| TPSA: | 253.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD46285
Formula: C5H8O5
Smiles:
COC(=O)C(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 148.11 | Num_heavy_atoms: | 10 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
