Glycoside
GD020617
Name:
NoneFormula:
C18H19O5N8ClSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NNC(=O)c4ccc[nH]4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(NNc1nc(Cl)nc2c1N=C[N]2)c1ccc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.84 | Num_heavy_atoms: | 31 |
| 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 |
AD14212
Formula: C11H7ON7Cl
Smiles:
O=C(NNc1nc(Cl)nc2c1N=C[N]2)c1ccc[nH]1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.67 | Num_heavy_atoms: | 19 |
| TPSA: | 109.16 | NumAromaticRings: | 2 |
