Glycoside
GD032390
Name:
NoneFormula:
C21H25O6N13Smiles:
Nc1nc2c(ncn2CCCn2cc(COC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@H]3O)nn2)c(=O)[nH]1Aglycone:
COCc1cn(CCCn2cnc3c(=O)[nH]c(N)nc32)nn1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 555.52 | Num_heavy_atoms: | 40 |
| TPSA: | 268.81 | NumAromaticRings: | 5 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD20777
Formula: C12H16O2N8
Smiles:
COCc1cn(CCCn2cnc3c(=O)[nH]c(N)nc32)nn1| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 304.31 | Num_heavy_atoms: | 22 |
| TPSA: | 129.53 | NumAromaticRings: | 3 |
