Glycoside
GD137831
Name:
Vernonioside F1Formula:
C35H52O12Smiles:
CC(CO)C1(O)C2OC(=O)C(C3CC=C4C5=C(CCC43C)C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)CC3CC5)C2OC1(C)OAglycone:
CC(CO)C1(O)C2OC(=O)C(C3CC=C4C5=C(CCC43C)C3(C)CCC(O)CC3CC5)C2OC1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 664.79 | Num_heavy_atoms: | 47 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD55664
Formula: C29H42O7
Smiles:
CC(CO)C1(O)C2OC(=O)C(C3CC=C4C5=C(CCC43C)C3(C)CCC(O)CC3CC5)C2OC1(C)O| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 502.65 | Num_heavy_atoms: | 36 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
