Glycoside
GD148323
Name:
Charantoside AFormula:
C37H60O9Smiles:
COC1C=C2C(CCC(OC3OC(CO)C(O)C(O)C3O)C2(C)C)C2(C=O)CCC3(C)C(C(C)CC=CC(C)(C)O)CCC3(C)C12Aglycone:
COC1C=C2C(CCC(O)C2(C)C)C2(C=O)CCC3(C)C(C(C)CC=CC(C)(C)O)CCC3(C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 648.88 | Num_heavy_atoms: | 46 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD59361
Formula: C31H50O4
Smiles:
COC1C=C2C(CCC(O)C2(C)C)C2(C=O)CCC3(C)C(C(C)CC=CC(C)(C)O)CCC3(C)C12| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.74 | Num_heavy_atoms: | 35 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
