Glycoside
GD101955
Name:
NoneFormula:
C22H28O7N2SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)[C@@H]1CCCN1Cc1ccco1Aglycone:
O=C(Nc1ccc(S)cc1)C1CCCN1Cc1ccco1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 464.54 | Num_heavy_atoms: | 32 |
| TPSA: | 135.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD43165
Formula: C16H18O2N2S
Smiles:
O=C(Nc1ccc(S)cc1)C1CCCN1Cc1ccco1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.4 | Num_heavy_atoms: | 21 |
| TPSA: | 45.48 | NumAromaticRings: | 2 |
