Glycoside
GD000786
Name:
CHARANTOSIDE VIFormula:
C37H60O8Smiles:
CO[C@H](C=C(C)C)C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3C=C[C@]45OC[C@@]3(CC[C@]12C)[C@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C5(C)CAglycone:
COC(C=C(C)C)CC(C)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(O)C5(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 632.88 | Num_heavy_atoms: | 45 |
| TPSA: | 117.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD00831
Formula: C31H50O3
Smiles:
COC(C=C(C)C)CC(C)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(O)C5(C)C| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 6.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.74 | Num_heavy_atoms: | 34 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
