Glycoside
GD002294
Name:
NoneFormula:
C20H30O5N7Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NC4CC(C)(C)N([O])C(C)(C)C4)ncnc32)[C@H](O)[C@H]1OAglycone:
CC1(C)CC(Nc2ncnc3c2N=C[N]3)CC(C)(C)N1OSugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.5 | Num_heavy_atoms: | 32 |
| TPSA: | 157.56 | NumAromaticRings: | 2 |
Unique Aglycone
AD02204
Formula: C14H21ON6
Smiles:
CC1(C)CC(Nc2ncnc3c2N=C[N]3)CC(C)(C)N1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 289.36 | Num_heavy_atoms: | 21 |
| TPSA: | 87.74 | NumAromaticRings: | 1 |
