Glycoside
GD020235
Name:
CHARANTOSIDE IIFormula:
C38H62O9Smiles:
CO[C@H](C=C(C)C)C[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:
COC(C=C(C)C)CC(C)C1CCC2(C)C3C=CC45OC(OC)C3(CCC12C)C4CCC(O)C5(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 9 |
| MolWt: | 662.91 | Num_heavy_atoms: | 47 |
| TPSA: | 127.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD14006
Formula: C32H52O4
Smiles:
COC(C=C(C)C)CC(C)C1CCC2(C)C3C=CC45OC(OC)C3(CCC12C)C4CCC(O)C5(C)C| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 6.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.76 | Num_heavy_atoms: | 36 |
| TPSA: | 47.92 | NumAromaticRings: | 0 |
