Glycoside
GD078890
Name:
NoneFormula:
C21H31O5N2Smiles:
C[C@@H]1O[C@@H](OCC[NH2+][C@H]2CC[C@@](C#N)(c3ccccc3)CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#CC1(c2ccccc2)CCC([NH2+]CCO)CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 391.49 | Num_heavy_atoms: | 28 |
| TPSA: | 119.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD36247
Formula: C15H21ON2
Smiles:
N#CC1(c2ccccc2)CCC([NH2+]CCO)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 245.35 | Num_heavy_atoms: | 18 |
| TPSA: | 60.63 | NumAromaticRings: | 1 |
