Glycoside
GD009687
Name:
NoneFormula:
C32H34O5N7ClSmiles:
CC(C)(CO)NC(=O)[C@@H]1OC(n2cnc3c(NCCc4cn(Cc5ccc(Cl)cc5)c5ccccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(C)(CO)NC=O.Clc1ccc(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3ccccc32)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 10 |
| MolWt: | 620.11 | Num_heavy_atoms: | 44 |
| TPSA: | 159.58 | NumAromaticRings: | 5 |
Unique Aglycone
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 |
AD07574
Formula: C5H11O2N
Smiles:
CC(C)(CO)NC=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
