Glycoside
GD006210
Name:
NoneFormula:
C25H31O9N9Smiles:
CCn1c(=O)ccn(C2OC(Cn3cc(COC(=O)Cn4cnc5c4c(=O)n(C)c(=O)n5C)nn3)C(OC)C2OC)c1=OAglycone:
CCn1c(=O)cc[nH]c1=O.Cn1cc(COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nn1Sugarmoiety:
COC1C(O)OC(O)C1OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.52 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 10 |
| MolWt: | 601.58 | Num_heavy_atoms: | 43 |
| TPSA: | 190.52 | 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 |
AD05158
Formula: C13H15O4N7
Smiles:
Cn1cc(COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nn1| HBA: | 11 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 333.31 | Num_heavy_atoms: | 24 |
| TPSA: | 118.83 | NumAromaticRings: | 3 |
