Glycoside
GD013706
Name:
FOMITOSIDE CFormula:
C35H54O7Smiles:
CC(C)=CCC[C@H](C(=O)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC3Aglycone:
CC(C)=CCCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 5.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 586.81 | Num_heavy_atoms: | 42 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD10183
Formula: C30H46O3
Smiles:
CC(C)=CCCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 7.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.7 | Num_heavy_atoms: | 33 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
