Glycoside

GD101835
Name:
NoneFormula:
C23H29O6N3SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)[C@@H]1CCCN(c2ccccn2)C1Aglycone:
O=C(Nc1ccc(S)cc1)C1CCCN(c2ccccn2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 9 | RingCount: | 4 |
HBD: | 5 | FractionCSP3: | 0.48 |
AlogP: | 0.83 | Num_rotatable_bonds: | 6 |
MolWt: | 475.57 | Num_heavy_atoms: | 33 |
TPSA: | 135.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD43118
Formula: C17H19ON3S
Smiles:
O=C(Nc1ccc(S)cc1)C1CCCN(c2ccccn2)C1HBA: | 4 | RingCount: | 3 |
HBD: | 1 | FractionCSP3: | 0.29 |
AlogP: | 3.23 | Num_rotatable_bonds: | 3 |
MolWt: | 313.43 | Num_heavy_atoms: | 22 |
TPSA: | 45.23 | NumAromaticRings: | 2 |