Glycoside
GD129575
Name:
NoneFormula:
C31H36O18Smiles:
COc1cc(C2Oc3cccc(OC4OC(CO)C(O)C(O)C4O)c3C=C2OC2OC(COC(=O)CC(=O)O)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)CC(=O)O.COc1cc(C2Oc3cccc(O)c3C=C2O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 696.61 | Num_heavy_atoms: | 49 |
| TPSA: | 280.82 | 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 |
AD49539
Formula: C16H14O5
Smiles:
COc1cc(C2Oc3cccc(O)c3C=C2O)ccc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 79.15 | NumAromaticRings: | 2 |
