Glycoside
GD011397
Name:
FOMITOSIDE GFormula:
C38H60O8Smiles:
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)CC[C@H](OC(C)=O)C(C)(C)[C@H]1CC3)C(C)CAglycone:
C=C(CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 6.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 644.89 | Num_heavy_atoms: | 46 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD08717
Formula: C33H52O4
Smiles:
C=C(CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(C)C| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.82 |
| AlogP: | 8.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.78 | Num_heavy_atoms: | 37 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
