Glycoside
GD005677
Name:
NoneFormula:
C23H30O5N8Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(N4CCN(c5ccc(OC)cc5)CC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.COc1ccc(N2CCN(c3nc(N)c4c(n3)[N]C=N4)CC2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 498.54 | Num_heavy_atoms: | 36 |
| TPSA: | 164.12 | 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 |
AD04786
Formula: C16H18ON7
Smiles:
COc1ccc(N2CCN(c3nc(N)c4c(n3)[N]C=N4)CC2)cc1| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 324.37 | Num_heavy_atoms: | 24 |
| TPSA: | 93.97 | NumAromaticRings: | 2 |
