Glycoside
GD021361
Name:
NoneFormula:
C21H22O6N7ClSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC(=O)Nc4ccc(OC)cc4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.COc1ccc(NC(=O)Nc2nc(Cl)nc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 491.89 | Num_heavy_atoms: | 34 |
| TPSA: | 172.75 | 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 |
AD14623
Formula: C14H10O2N6Cl
Smiles:
COc1ccc(NC(=O)Nc2nc(Cl)nc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 317.72 | Num_heavy_atoms: | 22 |
| TPSA: | 102.6 | NumAromaticRings: | 2 |
