Glycoside
GD000432
Name:
NoneFormula:
C18H32O3N8Smiles:
NCCCCNC(CCN)CC[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCC(CCN)NCCCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.72 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 408.51 | Num_heavy_atoms: | 29 |
| TPSA: | 183.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD00481
Formula: C9H23N3
Smiles:
CCC(CCN)NCCCCN| HBA: | 3 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 173.3 | Num_heavy_atoms: | 12 |
| TPSA: | 64.07 | NumAromaticRings: | 0 |
