Glycoside
GD008403
Name:
NoneFormula:
C24H31O6N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)OC)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.COC(=O)CCc1ccc(CCNc2nc(N)c3c(n2)[N]C=N3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 10 |
| MolWt: | 513.56 | Num_heavy_atoms: | 37 |
| TPSA: | 186.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD06714
Formula: C17H19O2N6
Smiles:
COC(=O)CCc1ccc(CCNc2nc(N)c3c(n2)[N]C=N3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 339.38 | Num_heavy_atoms: | 25 |
| TPSA: | 116.59 | NumAromaticRings: | 2 |
