Glycoside
GD151465
Name:
Chinenoside VFormula:
C45H72O19Smiles:
CC1=C(C(CO)CC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(=O)C5CC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C12Aglycone:
CC1=C(C(CO)CC(C)CO)OC2CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC3(C)C12Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 13 |
| MolWt: | 917.05 | Num_heavy_atoms: | 64 |
| TPSA: | 304.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD60181
Formula: C28H44O5
Smiles:
CC1=C(C(CO)CC(C)CO)OC2CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC3(C)C12| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.66 | Num_heavy_atoms: | 33 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
