Glycoside
GD012169
Name:
NoneFormula:
C27H32O8N6Smiles:
COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)NC[C@@H]1O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]1O)C(=O)OC2Aglycone:
CNC(=O)CCC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 568.59 | Num_heavy_atoms: | 41 |
| TPSA: | 204.17 | NumAromaticRings: | 3 |
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 |
AD09194
Formula: C18H23O5N
Smiles:
CNC(=O)CCC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 333.38 | Num_heavy_atoms: | 24 |
| TPSA: | 84.86 | NumAromaticRings: | 1 |
