Glycoside
GD007832
Name:
NoneFormula:
C17H23O6N3SSmiles:
Cc1cc(NC[C@H](O)[C@H](O)[C@H](O)CO)c(Sc2cc(=O)[nH]c(=O)[nH]2)cc1CAglycone:
CNc1cc(C)c(C)cc1Sc1cc(=O)[nH]c(=O)[nH]1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 397.45 | Num_heavy_atoms: | 27 |
| TPSA: | 158.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD06337
Formula: C13H15O2N3S
Smiles:
CNc1cc(C)c(C)cc1Sc1cc(=O)[nH]c(=O)[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.23 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 277.35 | Num_heavy_atoms: | 19 |
| TPSA: | 77.75 | NumAromaticRings: | 2 |
