Glycoside
GD151437
Name:
NoneFormula:
C39H52O19Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(OCC(O)C(O)C(O)C(O)CO)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(-c2oc3c(CC=C(C)C)ccc(O)c3c(=O)c2O)cc1Sugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1O.OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 15 |
| MolWt: | 824.83 | Num_heavy_atoms: | 58 |
| TPSA: | 308.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD60399
Formula: C21H20O5
Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)ccc(O)c3c(=O)c2O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 352.39 | Num_heavy_atoms: | 26 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
