Glycoside
GD015341
Name:
NoneFormula:
C19H27O5N5SSmiles:
CSCC[C@H](N)C(=O)OC[C@@H]1O[C@H](CCn2nnc(-c3ccccc3)n2)[C@H](O)[C@H]1OAglycone:
CCn1nnc(-c2ccccc2)n1.COC(=O)C(N)CCSCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 10 |
| MolWt: | 437.52 | Num_heavy_atoms: | 30 |
| TPSA: | 145.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD06499
Formula: C6H13O2NS
Smiles:
COC(=O)C(N)CCSC| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 163.24 | Num_heavy_atoms: | 10 |
| TPSA: | 52.32 | 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 |
