Glycoside
GD032313
Name:
NoneFormula:
C22H27O5N5Smiles:
CC(C)Oc1ccc2ccccc2c1CNC[C@@H]1O[C@H](n2cnc(C(N)=O)n2)[C@H](O)[C@H]1OAglycone:
CNCc1c(OC(C)C)ccc2ccccc12.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 441.49 | Num_heavy_atoms: | 32 |
| TPSA: | 144.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD13475
Formula: C15H19ON
Smiles:
CNCc1c(OC(C)C)ccc2ccccc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 229.32 | Num_heavy_atoms: | 17 |
| TPSA: | 21.26 | NumAromaticRings: | 2 |
