Glycoside
GD001041
Name:
NoneFormula:
C31H32O5N7ClSmiles:
COCCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCCc4cn(Cc5ccc(Cl)cc5)c5ccccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
COCCNC=O.Clc1ccc(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3ccccc32)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 11 |
| MolWt: | 606.08 | Num_heavy_atoms: | 43 |
| TPSA: | 148.58 | NumAromaticRings: | 5 |
Unique Aglycone
AD01081
Formula: C4H9O2N
Smiles:
COCCNC=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
AD01082
Formula: C23H18N6Cl
Smiles:
Clc1ccc(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3ccccc32)cc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 401.88 | Num_heavy_atoms: | 29 |
| TPSA: | 69.2 | NumAromaticRings: | 4 |
