Glycoside
GD030808
Name:
Sinularia GlycosideFormula:
C36H58O8Smiles:
C=C(CC[C@H](C)[C@@H]1[C@H](O)C[C@@H]2[C@H]3[C@H](O)C=C4C[C@@H](O[C@@H]5O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@@]12C)C(C)CAglycone:
C=C(CCC(C)C1C(O)CC2C3C(O)C=C4CC(O)CCC4(C)C3CCC21C)C(C)CSugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 4.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 618.85 | Num_heavy_atoms: | 44 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD19927
Formula: C28H46O3
Smiles:
C=C(CCC(C)C1C(O)CC2C3C(O)C=C4CC(O)CCC4(C)C3CCC21C)C(C)C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 5.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.67 | Num_heavy_atoms: | 31 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
