Glycoside
GD098160
Name:
NoneFormula:
C22H29O6N5SSmiles:
O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 491.57 | Num_heavy_atoms: | 34 |
| TPSA: | 151.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD41760
Formula: C16H19ON5S
Smiles:
O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(S)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 329.43 | Num_heavy_atoms: | 23 |
| TPSA: | 61.36 | NumAromaticRings: | 2 |
