Glycoside
GD092045
Name:
NoneFormula:
C21H32O6N2FSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)CC2(c3ccccc3F)CC[NH2+]CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(CC1(c2ccccc2F)CC[NH2+]CC1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 427.49 | Num_heavy_atoms: | 30 |
| TPSA: | 124.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD40178
Formula: C15H22O2N2F
Smiles:
O=C(CC1(c2ccccc2F)CC[NH2+]CC1)NCCO| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 281.35 | Num_heavy_atoms: | 20 |
| TPSA: | 65.94 | NumAromaticRings: | 1 |
