Glycoside
GD007934
Name:
FOMITOSIDE DFormula:
C36H56O7Smiles:
C=C(CC[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]1CC3)C(C)CAglycone:
C=C(CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 5.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 600.84 | Num_heavy_atoms: | 43 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD06400
Formula: C31H48O3
Smiles:
C=C(CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(C)C| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 8.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.72 | Num_heavy_atoms: | 34 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
