Glycoside
GD070521
Name:
NoneFormula:
C20H30O5NSmiles:
OC[C@H]1O[C@H](O)[C@H]([NH2+][C@H]2CC[C@]3(CCc4ccccc43)CC2)[C@@H](O)[C@@H]1OAglycone:
[NH3+]C1CCC2(CCc3ccccc32)CC1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 364.46 | Num_heavy_atoms: | 26 |
| TPSA: | 106.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD33431
Formula: C14H20N
Smiles:
[NH3+]C1CCC2(CCc3ccccc32)CC1| HBA: | 1 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 202.32 | Num_heavy_atoms: | 15 |
| TPSA: | 27.64 | NumAromaticRings: | 1 |
