Glycoside
GD034916
Name:
Kidjoranin GlycosideFormula:
C44H62O13Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@]4(O)[C@H]3C[C@H](OC(=O)C=Cc3ccccc3)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)O[C@@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@H](O)[C@@H](C)O1Aglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12CSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 798.97 | Num_heavy_atoms: | 57 |
| TPSA: | 179.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD00401
Formula: C30H38O7
Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 510.63 | Num_heavy_atoms: | 37 |
| TPSA: | 124.29 | NumAromaticRings: | 1 |
