Glycoside
GD004463
Name:
NoneFormula:
C33H46O10Smiles:
CC(=CCCC(C)=CCC[C@@]1(C)CCc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)cc(C)c2O1)CCC=C(C)C(=O)OAglycone:
CC(=CCCC(C)=CCCC1(C)CCc2cc(O)cc(C)c2O1)CCC=C(C)C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 13 |
| MolWt: | 602.72 | Num_heavy_atoms: | 43 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD03896
Formula: C27H38O4
Smiles:
CC(=CCCC(C)=CCCC1(C)CCc2cc(O)cc(C)c2O1)CCC=C(C)C(=O)O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.52 |
| AlogP: | 7.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 426.6 | Num_heavy_atoms: | 31 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
