Glycoside
GD101214
Name:
NoneFormula:
C24H29O5N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(C(=O)N5CCCCC5)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.O=C(c1ccc(Nc2ncnc3c2N=C[N]3)cc1)N1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 495.54 | Num_heavy_atoms: | 36 |
| TPSA: | 154.73 | 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 |
AD42797
Formula: C17H17ON6
Smiles:
O=C(c1ccc(Nc2ncnc3c2N=C[N]3)cc1)N1CCCCC1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 321.36 | Num_heavy_atoms: | 24 |
| TPSA: | 84.58 | NumAromaticRings: | 2 |
