Glycoside
GD115819
Name:
Gex1Q3Formula:
C31H50O12Smiles:
COC(C(C)O)C(C)C1OC1(C)CC(C)C=CC=C(C)C1OC(CC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)CCC1CAglycone:
COC(C(C)O)C(C)C1OC1(C)CC(C)C=CC=C(C)C1OC(CC(=O)O)CCC1CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 13 |
| MolWt: | 614.73 | Num_heavy_atoms: | 43 |
| TPSA: | 184.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD45887
Formula: C25H42O6
Smiles:
COC(C(C)O)C(C)C1OC1(C)CC(C)C=CC=C(C)C1OC(CC(=O)O)CCC1C| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 11 |
| MolWt: | 438.61 | Num_heavy_atoms: | 31 |
| TPSA: | 88.52 | NumAromaticRings: | 0 |
