Glycoside
GD095180
Name:
NoneFormula:
C19H27O8N3SSmiles:
O=C(NC[C@@H]1CCC[C@]2(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2)O1)c1cscn1Aglycone:
O=C(NCC1CCCC2(CCNC2)O1)c1cscn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 457.51 | Num_heavy_atoms: | 31 |
| TPSA: | 169.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD40636
Formula: C13H19O2N3S
Smiles:
O=C(NCC1CCCC2(CCNC2)O1)c1cscn1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 281.38 | Num_heavy_atoms: | 19 |
| TPSA: | 63.25 | NumAromaticRings: | 1 |
