Glycoside
GD005817
Name:
NoneFormula:
C19H24O4N5ClSmiles:
O[C@@H]1[C@H](COC2CC2)O[C@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H]1OAglycone:
COC1CC1.Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.72 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 409.87 | Num_heavy_atoms: | 28 |
| TPSA: | 114.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD00055
Formula: C11H11N5Cl
Smiles:
Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.69 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD04882
Formula: C4H8O
Smiles:
COC1CC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 72.11 | Num_heavy_atoms: | 5 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
