Glycoside
GD139658
Name:
NoneFormula:
C30H36O18Smiles:
O=C(O)CC(=O)OCC1OC(OC2Cc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3OC2c2ccc(O)cc2)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)O.Oc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.53 |
| AlogP: | -2.84 | Num_rotatable_bonds: | 10 |
| MolWt: | 684.6 | Num_heavy_atoms: | 48 |
| TPSA: | 291.82 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD07043
Formula: C15H14O5
Smiles:
Oc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
