Glycoside
GD110092
Name:
NoneFormula:
C27H37O8NSmiles:
CC1(C)C(C(=O)c2cn(CCCCCO[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c3ccccc23)C1(C)CAglycone:
CC1(C)C(C(=O)c2cn(CCCCCO)c3ccccc23)C1(C)CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 10 |
| MolWt: | 503.59 | Num_heavy_atoms: | 36 |
| TPSA: | 138.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD44615
Formula: C21H29O2N
Smiles:
CC1(C)C(C(=O)c2cn(CCCCCO)c3ccccc23)C1(C)C| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 327.47 | Num_heavy_atoms: | 24 |
| TPSA: | 42.23 | NumAromaticRings: | 2 |
