Glycoside
GD098020
Name:
NoneFormula:
C18H27O4N7S2Smiles:
CSC[C@H]1O[C@@H](n2cnc3c(NC(=S)NCCN4CCOCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
S=C(NCCN1CCOCC1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 469.59 | Num_heavy_atoms: | 31 |
| TPSA: | 129.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD38824
Formula: C12H16ON7S
Smiles:
S=C(NCCN1CCOCC1)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 306.38 | Num_heavy_atoms: | 21 |
| TPSA: | 88.77 | NumAromaticRings: | 1 |
