Glycoside
GD020316
Name:
NoneFormula:
C38H54O12Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@H]4C[C@H](OC(=O)C=CC=Cc5ccccc5)[C@]5(C)[C@](O)([C@H](C)O)CC[C@]5(O)[C@]4(O)C[C@H](O)[C@]3(O)C2)C[C@H](O)[C@@H]1OAglycone:
CC(O)C1(O)CCC2(O)C3(O)CC(O)C4(O)CC(O)CCC4(C)C3CC(OC(=O)C=CC=Cc3ccccc3)C12CSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 702.84 | Num_heavy_atoms: | 50 |
| TPSA: | 206.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD05200
Formula: C32H44O9
Smiles:
CC(O)C1(O)CCC2(O)C3(O)CC(O)C4(O)CC(O)CCC4(C)C3CC(OC(=O)C=CC=Cc3ccccc3)C12C| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.66 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 572.7 | Num_heavy_atoms: | 41 |
| TPSA: | 167.91 | NumAromaticRings: | 1 |
