Glycoside
GD011535
Name:
NoneFormula:
C28H31O8N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5cc(OC)cc(OC)c5)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.COc1cc(NC(=O)COc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc(OC)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 11 |
| MolWt: | 593.6 | Num_heavy_atoms: | 43 |
| TPSA: | 191.21 | NumAromaticRings: | 4 |
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 |
AD08805
Formula: C21H19O4N6
Smiles:
COc1cc(NC(=O)COc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc(OC)c1| HBA: | 10 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 419.42 | Num_heavy_atoms: | 31 |
| TPSA: | 121.06 | NumAromaticRings: | 3 |
