Glycoside
GD013634
Name:
NoneFormula:
C33H34O4N7ClSmiles:
Cc1ccc(C)c(Cn2cc(CCNc3ncnc4c3ncn4[C@@H]3O[C@H](C(=O)NC4CC4)[C@H](O)[C@H]3O)c3cc(Cl)ccc32)c1Aglycone:
Cc1ccc(C)c(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3cc(Cl)ccc32)c1.O=CNC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 616.12 | Num_heavy_atoms: | 44 |
| TPSA: | 139.35 | NumAromaticRings: | 5 |
Unique Aglycone
AD00527
Formula: C4H7ON
Smiles:
O=CNC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 85.11 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD10140
Formula: C25H22N6Cl
Smiles:
Cc1ccc(C)c(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3cc(Cl)ccc32)c1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 5.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 429.94 | Num_heavy_atoms: | 31 |
| TPSA: | 69.2 | NumAromaticRings: | 4 |
