Glycoside
GD023402
Name:
2-Methyl-11,11'-O-DimethylelaiophylinFormula:
C57H94O18Smiles:
CC[C@@H]1[C@H](C)O[C@](OC)([C@@H](C)[C@@H](O)[C@@H](C)[C@@H]2OC(=O)C(C)=CC=C[C@@H](C)[C@H]([C@@H](C)[C@@H](O)[C@@H](C)[C@]3(OC)C[C@@H](O[C@@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](CC)[C@H](C)O3)OC(=O)C=CC=C[C@@H]2C)C[C@@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@H](C)O1Aglycone:
CCC1C(O)CC(OC)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(OC)CC(O)C(CC)C(C)O3)OC(=O)C(C)=CC=CC2C)OC1CSugarmoiety:
CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | 5.82 | Num_rotatable_bonds: | 16 |
| MolWt: | 1067.36 | Num_heavy_atoms: | 75 |
| TPSA: | 247.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD15745
Formula: C45H74O12
Smiles:
CCC1C(O)CC(OC)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(OC)CC(O)C(CC)C(C)O3)OC(=O)C(C)=CC=CC2C)OC1C| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 6.05 | Num_rotatable_bonds: | 12 |
| MolWt: | 807.08 | Num_heavy_atoms: | 57 |
| TPSA: | 170.44 | NumAromaticRings: | 0 |
