Glycoside
GD027596
Name:
NoneFormula:
C38H42O9N8Smiles:
COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)NC[C@@H]1O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]1O)C(=O)OC2Aglycone:
CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.37 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 13 |
| MolWt: | 754.8 | Num_heavy_atoms: | 55 |
| TPSA: | 249.06 | NumAromaticRings: | 5 |
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 |
AD18116
Formula: C29H33O6N3
Smiles:
CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.34 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 519.6 | Num_heavy_atoms: | 38 |
| TPSA: | 129.75 | NumAromaticRings: | 3 |
