Glycoside
GD010075
Name:
NoneFormula:
C18H27O4N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)NCC2CC2)[C@H](O)[C@H]1OAglycone:
CSCCC(N)C(=O)NCC1CC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 437.53 | Num_heavy_atoms: | 30 |
| TPSA: | 174.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD07825
Formula: C9H18ON2S
Smiles:
CSCCC(N)C(=O)NCC1CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 202.32 | Num_heavy_atoms: | 13 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
