Glycoside
GD028012
Name:
CHARANTOSIDE IFormula:
C37H58O8Smiles:
C=C(C)C=CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3C=C[C@]45O[C@H](OC)[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:
C=C(C)C=CCC(C)C1CCC2(C)C3C=CC45OC(OC)C3(CCC12C)C4CCC(O)C5(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 4.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 630.86 | Num_heavy_atoms: | 45 |
| TPSA: | 117.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD18345
Formula: C31H48O3
Smiles:
C=C(C)C=CCC(C)C1CCC2(C)C3C=CC45OC(OC)C3(CCC12C)C4CCC(O)C5(C)C| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 7.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.72 | Num_heavy_atoms: | 34 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
