Glycoside
GD009476
Name:
CHARANTOSIDE CFormula:
C37H60O9Smiles:
COC(C)(C)C=CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]45OC(=O)[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=CCC(C)C1CCC2(C)C3CCC45OC(=O)C3(CCC12C)C4CCC(O)C5(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 648.88 | Num_heavy_atoms: | 46 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD07424
Formula: C31H50O4
Smiles:
COC(C)(C)C=CCC(C)C1CCC2(C)C3CCC45OC(=O)C3(CCC12C)C4CCC(O)C5(C)C| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 6.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 486.74 | Num_heavy_atoms: | 35 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
