Glycoside
GD000004
Name:
NoneFormula:
C31H50O9Smiles:
CC(C)OC(=O)C=C[C@@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@]12CAglycone:
CC(C)OC(=O)C=CC1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 566.73 | Num_heavy_atoms: | 40 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD00006
Formula: C25H40O4
Smiles:
CC(C)OC(=O)C=CC1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 4.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 404.59 | Num_heavy_atoms: | 29 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
