Glycoside
GD092034
Name:
NoneFormula:
C19H32O6N3SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H](c2ccsc2)N2CCC[C@@H]([NH3+])C2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
[NH3+]C1CCCN(C(C(=O)NCCO)c2ccsc2)C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.74 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 430.55 | Num_heavy_atoms: | 29 |
| TPSA: | 139.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD40168
Formula: C13H22O2N3S
Smiles:
[NH3+]C1CCCN(C(C(=O)NCCO)c2ccsc2)C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 284.41 | Num_heavy_atoms: | 19 |
| TPSA: | 80.21 | NumAromaticRings: | 1 |
