Glycoside
GD018890
Name:
NoneFormula:
C23H29O7N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC(=O)NCCc4ccc(OC)c(OC)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.COc1ccc(CCNC(=O)Nc2ncnc3c2N=C[N]3)cc1OCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 515.53 | Num_heavy_atoms: | 37 |
| TPSA: | 181.98 | 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 |
AD13243
Formula: C16H17O3N6
Smiles:
COc1ccc(CCNC(=O)Nc2ncnc3c2N=C[N]3)cc1OC| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 341.35 | Num_heavy_atoms: | 25 |
| TPSA: | 111.83 | NumAromaticRings: | 2 |
