Glycoside
GD102932
Name:
NoneFormula:
C22H27O7N3SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)c1cc(OCC2CCC2)ncn1Aglycone:
O=C(Nc1ccc(S)cc1)c1cc(OCC2CCC2)ncn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 477.54 | Num_heavy_atoms: | 33 |
| TPSA: | 154.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD43569
Formula: C16H17O2N3S
Smiles:
O=C(Nc1ccc(S)cc1)c1cc(OCC2CCC2)ncn1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 315.4 | Num_heavy_atoms: | 22 |
| TPSA: | 64.11 | NumAromaticRings: | 2 |
