Glycoside
GD025883
Name:
PEDUNCULOSUMOSIDE CFormula:
C33H40O17Smiles:
CC(C)=CCc1cc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2CO)cc(O)c1OAglycone:
CC(C)=CCc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2CO)cc(O)c1OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.48 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 708.67 | Num_heavy_atoms: | 50 |
| TPSA: | 289.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD14197
Formula: C21H20O7
Smiles:
CC(C)=CCc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2CO)cc(O)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.19 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 384.38 | Num_heavy_atoms: | 28 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
