Glycoside
GD033521
Name:
NoneFormula:
C28H43O8NSmiles:
CC(=O)N[C@@H]1[C@H](OC(=O)[C@@]2(C)CCC[C@@]3(C)[C@H]4CC[C@]5(C)C[C@]4(CC[C@@H]23)CC5=O)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC12CCC3C(CCC4C(C)(C(=O)O)CCCC34C)(CC1=O)C2Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 521.65 | Num_heavy_atoms: | 37 |
| TPSA: | 142.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD09437
Formula: C20H30O3
Smiles:
CC12CCC3C(CCC4C(C)(C(=O)O)CCCC34C)(CC1=O)C2| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
