Glycoside
GD091287
Name:
NoneFormula:
C18H21O5N7SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=S)NCc4ccco4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.S=C(NCc1ccco1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 447.48 | Num_heavy_atoms: | 31 |
| TPSA: | 159.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD39815
Formula: C11H9ON6S
Smiles:
S=C(NCc1ccco1)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 273.3 | Num_heavy_atoms: | 19 |
| TPSA: | 89.44 | NumAromaticRings: | 2 |
