Glycoside
GD074237
Name:
NoneFormula:
C16H23O6N3SSmiles:
Cc1ncc(CN2CC3(CCN3C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)s1Aglycone:
Cc1ncc(CN2CC3(CCN3C=O)C2)s1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 385.44 | Num_heavy_atoms: | 26 |
| TPSA: | 126.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD34315
Formula: C11H15ON3S
Smiles:
Cc1ncc(CN2CC3(CCN3C=O)C2)s1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.64 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 237.33 | Num_heavy_atoms: | 16 |
| TPSA: | 36.44 | NumAromaticRings: | 1 |
