Glycoside
GD018794
Name:
Pm050511Formula:
C31H46O9Smiles:
CC=C(C)C(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(C)C=C(C)C=CCC(C)C=Cc1oc(OC)c(C)c(=O)c1CAglycone:
CC=C(C)C(O)C(C)C=C(C)C=CCC(C)C=Cc1oc(OC)c(C)c(=O)c1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 12 |
| MolWt: | 562.7 | Num_heavy_atoms: | 40 |
| TPSA: | 138.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD13189
Formula: C25H36O4
Smiles:
CC=C(C)C(O)C(C)C=C(C)C=CCC(C)C=Cc1oc(OC)c(C)c(=O)c1C| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.48 |
| AlogP: | 5.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 400.56 | Num_heavy_atoms: | 29 |
| TPSA: | 59.67 | NumAromaticRings: | 1 |
