Glycoside
GD029060
Name:
NoneFormula:
C24H29O9N9Smiles:
CCn1c(=O)ccn(C2OC(Cn3cc(COC(=O)C(C)n4cnc5c4c(=O)n(C)c(=O)n5C)nn3)C(O)C2O)c1=OAglycone:
CC(C(=O)OCc1cn(C)nn1)n1cnc2c1c(=O)n(C)c(=O)n2C.CCn1c(=O)cc[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -3.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 587.55 | Num_heavy_atoms: | 42 |
| TPSA: | 212.52 | NumAromaticRings: | 4 |
Unique Aglycone
AD05157
Formula: C6H8O2N2
Smiles:
CCn1c(=O)cc[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 54.86 | NumAromaticRings: | 1 |
AD18943
Formula: C14H17O4N7
Smiles:
CC(C(=O)OCc1cn(C)nn1)n1cnc2c1c(=O)n(C)c(=O)n2C| HBA: | 11 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.43 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 347.34 | Num_heavy_atoms: | 25 |
| TPSA: | 118.83 | NumAromaticRings: | 3 |
