Glycoside
GD082402
Name:
NoneFormula:
C16H27O6N4SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2csc(N3CC[NH2+]CC3)n2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1csc(N2CC[NH2+]CC2)n1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | -2.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 403.48 | Num_heavy_atoms: | 27 |
| TPSA: | 140.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD37032
Formula: C10H17O2N4S
Smiles:
O=C(NCCO)c1csc(N2CC[NH2+]CC2)n1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 257.34 | Num_heavy_atoms: | 17 |
| TPSA: | 82.07 | NumAromaticRings: | 1 |
