Glycoside
GD012262
Name:
NoneFormula:
C19H28O5N6SSmiles:
CSCC[C@H](N)C(=O)N(O)C[C@@H]1O[C@H](CCn2nnc(-c3ccccc3)n2)[C@H](O)[C@H]1OAglycone:
CCn1nnc(-c2ccccc2)n1.CSCCC(N)C(=O)N(C)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 10 |
| MolWt: | 452.54 | Num_heavy_atoms: | 31 |
| TPSA: | 159.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD04463
Formula: C6H14O2N2S
Smiles:
CSCCC(N)C(=O)N(C)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 178.26 | Num_heavy_atoms: | 11 |
| TPSA: | 66.56 | NumAromaticRings: | 0 |
AD06783
Formula: C9H10N4
Smiles:
CCn1nnc(-c2ccccc2)n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 174.21 | Num_heavy_atoms: | 13 |
| TPSA: | 43.6 | NumAromaticRings: | 2 |
