Glycoside
GD006457
Name:
NoneFormula:
C18H26O5N6SSmiles:
CSCC[C@H](N)C(=O)N(O)C[C@@H]1O[C@H](Cn2nnc(-c3ccccc3)n2)[C@H](O)[C@H]1OAglycone:
CSCCC(N)C(=O)N(C)O.Cn1nnc(-c2ccccc2)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 438.51 | Num_heavy_atoms: | 30 |
| 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 |
AD05348
Formula: C8H8N4
Smiles:
Cn1nnc(-c2ccccc2)n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.18 | Num_heavy_atoms: | 12 |
| TPSA: | 43.6 | NumAromaticRings: | 2 |
