Glycoside
GD004871
Name:
CHARANTOSIDE IIIFormula:
C36H56O7Smiles:
C=C(C)C=CC[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:
C=C(C)C=CCC(C)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(O)C5(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 4.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 600.84 | Num_heavy_atoms: | 43 |
| TPSA: | 108.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD04200
Formula: C30H46O2
Smiles:
C=C(C)C=CCC(C)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(O)C5(C)C| HBA: | 2 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 7.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.7 | Num_heavy_atoms: | 32 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
