Glycoside
GD095349
Name:
NoneFormula:
C17H23O6N7SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=S)NCC(=O)OCC)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.CCOC(=O)CNC(=S)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 453.48 | Num_heavy_atoms: | 31 |
| TPSA: | 172.75 | NumAromaticRings: | 2 |
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 |
AD36979
Formula: C10H11O2N6S
Smiles:
CCOC(=O)CNC(=S)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 279.31 | Num_heavy_atoms: | 19 |
| TPSA: | 102.6 | NumAromaticRings: | 1 |
