Glycoside
GD151350
Name:
NoneFormula:
C23H26O12Smiles:
CC(C)(OC1OC(COC(=O)CC(=O)O)C(O)C(O)C1O)C1Cc2cc3ccc(=O)oc3cc2O1Aglycone:
CC(C)(O)C1Cc2cc3ccc(=O)oc3cc2O1.COC(=O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 494.45 | Num_heavy_atoms: | 35 |
| TPSA: | 182.19 | NumAromaticRings: | 2 |
Unique Aglycone
AD03997
Formula: C14H14O4
Smiles:
CC(C)(O)C1Cc2cc3ccc(=O)oc3cc2O1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
