Glycoside
GD087903
Name:
NoneFormula:
C18H25O7N3SSmiles:
O=C(C(=O)N1CCC2(CC1)CCN(C(=O)c1cscn1)C2)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
O=C(c1cscn1)N1CCC2(CCNCC2)C1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 427.48 | Num_heavy_atoms: | 29 |
| TPSA: | 151.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD38539
Formula: C12H17ON3S
Smiles:
O=C(c1cscn1)N1CCC2(CCNCC2)C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 251.35 | Num_heavy_atoms: | 17 |
| TPSA: | 45.23 | NumAromaticRings: | 1 |
