Glycoside
GD156287
Name:
Vernonioside F2Formula:
C40H60O16Smiles:
CC(CO)C1(O)C2OC(=O)C(C3CC=C4C5=C(CCC43C)C3(C)CCC(OC4OC(CO)C(O)C(OC6OCC(O)C(O)C6O)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(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 796.9 | Num_heavy_atoms: | 56 |
| TPSA: | 254.52 | 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 |
