Glycoside
GD033061
Name:
NoneFormula:
C19H21O5N8ClSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NNC(=O)c4ccc(C)[nH]4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Cc1ccc(C(=O)NNc2nc(Cl)nc3c2N=C[N]3)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.87 | Num_heavy_atoms: | 32 |
| TPSA: | 179.31 | 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 |
AD21128
Formula: C12H9ON7Cl
Smiles:
Cc1ccc(C(=O)NNc2nc(Cl)nc3c2N=C[N]3)[nH]1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 290.69 | Num_heavy_atoms: | 20 |
| TPSA: | 109.16 | NumAromaticRings: | 2 |
