Glycoside
GD018596
Name:
CHARANTOSIDE VIIIFormula:
C38H62O9Smiles:
CO[C@@H]1C=C2[C@H](CC[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C2(C)C)[C@]2(C=O)CC[C@]3(C)[C@H]([C@H](C)CC=CC(C)(C)OC)CC[C@@]3(C)[C@H]12Aglycone:
COC1C=C2C(CCC(O)C2(C)C)C2(C=O)CCC3(C)C(C(C)CC=CC(C)(C)OC)CCC3(C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 10 |
| MolWt: | 662.91 | Num_heavy_atoms: | 47 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD13091
Formula: C32H52O4
Smiles:
COC1C=C2C(CCC(O)C2(C)C)C2(C=O)CCC3(C)C(C(C)CC=CC(C)(C)OC)CCC3(C)C12| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 6.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 500.76 | Num_heavy_atoms: | 36 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
