Glycoside
GD015116
Name:
NoneFormula:
C25H26O6N8Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccncc5)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(COc1ccc(Nc2ncnc3c2N=C[N]3)cc1)Nc1ccncc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 9 |
| MolWt: | 534.53 | Num_heavy_atoms: | 39 |
| TPSA: | 185.64 | 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 |
AD11025
Formula: C18H14O2N7
Smiles:
O=C(COc1ccc(Nc2ncnc3c2N=C[N]3)cc1)Nc1ccncc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 360.36 | Num_heavy_atoms: | 27 |
| TPSA: | 115.49 | NumAromaticRings: | 3 |
